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Compile Data Set for Download or QSAR

Found 260 hits with Last Name = 'carbajales' and Initial = 'c'   
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))
BDBM50161342
PNG
(2-Amino-4-phenyl-indeno[1,2-d]pyrimidin-5-one | 2-...)
Show SMILES Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccccc1
Show InChI InChI=1S/C17H11N3O/c18-17-19-14(10-6-2-1-3-7-10)13-15(20-17)11-8-4-5-9-12(11)16(13)21/h1-9H,(H2,18,19,20)
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0.100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DPCPX from A1 adenosine receptor (unknown origin) expressed in CHO cell membrane incubated for 60 mins at room temperature by NXT...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01636
BindingDB Entry DOI: 10.7270/Q2M61Q5K
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50159502
PNG
(CHEMBL3786849)
Show SMILES CC(=O)NCCNc1nc(nc2nc([nH]c12)C(=O)N1CCN(CCCc2ccccc2)CC1)-c1ccccc1
Show InChI InChI=1S/C29H34N8O2/c1-21(38)30-14-15-31-26-24-27(34-25(33-26)23-12-6-3-7-13-23)35-28(32-24)29(39)37-19-17-36(18-20-37)16-8-11-22-9-4-2-5-10-22/h2-7,9-10,12-13H,8,11,14-20H2,1H3,(H,30,38)(H2,31,32,33,34,35)
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0.5n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]OSIP339391 from human recombinant Adenosine A2B receptor expressed in HEK293 cells after 60 mins


J Med Chem 59: 1967-83 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01586
BindingDB Entry DOI: 10.7270/Q2QF8VS9
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50159502
PNG
(CHEMBL3786849)
Show SMILES CC(=O)NCCNc1nc(nc2nc([nH]c12)C(=O)N1CCN(CCCc2ccccc2)CC1)-c1ccccc1
Show InChI InChI=1S/C29H34N8O2/c1-21(38)30-14-15-31-26-24-27(34-25(33-26)23-12-6-3-7-13-23)35-28(32-24)29(39)37-19-17-36(18-20-37)16-8-11-22-9-4-2-5-10-22/h2-7,9-10,12-13H,8,11,14-20H2,1H3,(H,30,38)(H2,31,32,33,34,35)
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0.5n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]OSIP339391 from human recombinant adenosine A2B receptor expressed in HEK293 cell membranes after 60 mins by liquid scintillation...


J Med Chem 60: 3372-3382 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00138
BindingDB Entry DOI: 10.7270/Q2TQ6407
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50584560
PNG
(CHEMBL5077370)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(N)nc(-c2ccccc2)c1C#N
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0.950n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]HZ241385 from human A2AAR expressed in HeLa cell membrane incubated for 30 mins by microbeta trilux scintillation counter analysi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01636
BindingDB Entry DOI: 10.7270/Q2M61Q5K
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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1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]HZ241385 from human A2AAR expressed in HeLa cell membrane incubated for 30 mins by microbeta trilux scintillation counter analysi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01636
BindingDB Entry DOI: 10.7270/Q2M61Q5K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50161342
PNG
(2-Amino-4-phenyl-indeno[1,2-d]pyrimidin-5-one | 2-...)
Show SMILES Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccccc1
Show InChI InChI=1S/C17H11N3O/c18-17-19-14(10-6-2-1-3-7-10)13-15(20-17)11-8-4-5-9-12(11)16(13)21/h1-9H,(H2,18,19,20)
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1.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]SCH-58261 from A2A adenosine receptor (unknown origin) expressed in HEK cell membrane incubated for 60 mins at room temperature b...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01636
BindingDB Entry DOI: 10.7270/Q2M61Q5K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50375499
PNG
(CHEMBL259319)
Show SMILES O=C(Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccc2OCOc2c1)C1CCCC1
Show InChI InChI=1S/C24H20N4O3/c25-13-18-21(15-6-2-1-3-7-15)26-24(28-23(29)16-8-4-5-9-16)27-22(18)17-10-11-19-20(12-17)31-14-30-19/h1-3,6-7,10-12,16H,4-5,8-9,14H2,(H,26,27,28,29)
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1.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DPCPX from A1 adenosine receptor (unknown origin) expressed in CHO cell membrane incubated for 60 mins at room temperature by NXT...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01636
BindingDB Entry DOI: 10.7270/Q2M61Q5K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50584555
PNG
(CHEMBL5084351)
Show SMILES Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1cccc(O)c1
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1.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01636
BindingDB Entry DOI: 10.7270/Q2M61Q5K
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50584559
PNG
(CHEMBL5088876)
Show SMILES COc1cc(OC)cc(c1)-c1nc(N)nc(-c2ccccc2)c1C#N
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1.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]HZ241385 from human A2AAR expressed in HeLa cell membrane incubated for 30 mins by microbeta trilux scintillation counter analysi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01636
BindingDB Entry DOI: 10.7270/Q2M61Q5K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50375500
PNG
(CHEMBL259607)
Show SMILES Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C18H12N4O2/c19-9-13-16(11-4-2-1-3-5-11)21-18(20)22-17(13)12-6-7-14-15(8-12)24-10-23-14/h1-8H,10H2,(H2,20,21,22)
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1.80n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01636
BindingDB Entry DOI: 10.7270/Q2M61Q5K
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM21190
PNG
(4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...)
Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)
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1.90n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]4-(2-[7-amino-2-(2-furyl)[1,2,4]triazolo[2,3-a][1,3,5]triazin-5-ylamino]ethyl)phenol from human adenosine A2A receptor expressed ...


J Med Chem 60: 3372-3382 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00138
BindingDB Entry DOI: 10.7270/Q2TQ6407
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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1.90n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385/[125I]IABOPX from human recombinant adenosine A2B receptor expressed in HEK293 cells after 3 hrs


J Med Chem 60: 3372-3382 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00138
BindingDB Entry DOI: 10.7270/Q2TQ6407
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM21190
PNG
(4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...)
Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)
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1.90n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human Adenosine A2A receptor expressed in HeLa cells after 30 mins


J Med Chem 59: 1967-83 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01586
BindingDB Entry DOI: 10.7270/Q2QF8VS9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM21190
PNG
(4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...)
Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)
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1.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]HZ241385 from human A2AAR expressed in HeLa cell membrane incubated for 30 mins by microbeta trilux scintillation counter analysi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01636
BindingDB Entry DOI: 10.7270/Q2M61Q5K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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2n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]IABOPX from human recombinant Adenosine A2B receptor expressed in HEK293 cells after 3 hrs


J Med Chem 59: 1967-83 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01586
BindingDB Entry DOI: 10.7270/Q2QF8VS9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50584556
PNG
(CHEMBL5086406)
Show SMILES COc1cccc(c1)-c1nc(N)nc(-c2ccccc2)c1C#N
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2.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01636
BindingDB Entry DOI: 10.7270/Q2M61Q5K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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2.20n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


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


J Med Chem 59: 1967-83 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01586
BindingDB Entry DOI: 10.7270/Q2QF8VS9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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2.20n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


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


J Med Chem 60: 3372-3382 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00138
BindingDB Entry DOI: 10.7270/Q2TQ6407
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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2.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01636
BindingDB Entry DOI: 10.7270/Q2M61Q5K
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50584608
PNG
(CHEMBL5071174)
Show SMILES N#Cc1c(nc(Nc2ccccc2)nc1-c1ccccc1)-c1ccco1
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UniChem
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2.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]HZ241385 from human A2AAR expressed in HeLa cell membrane incubated for 30 mins by microbeta trilux scintillation counter analysi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01636
BindingDB Entry DOI: 10.7270/Q2M61Q5K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50584557
PNG
(CHEMBL5086487)
Show SMILES CCNc1nc(-c2ccccc2)c(C#N)c(n1)-c1cccc(c1)C#N
PDB

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2.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01636
BindingDB Entry DOI: 10.7270/Q2M61Q5K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50584558
PNG
(CHEMBL5072557)
Show SMILES CNc1nc(-c2ccccc2)c(C#N)c(n1)-c1cccc(O)c1
PDB

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2.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01636
BindingDB Entry DOI: 10.7270/Q2M61Q5K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50584560
PNG
(CHEMBL5077370)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(N)nc(-c2ccccc2)c1C#N
PDB

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2.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01636
BindingDB Entry DOI: 10.7270/Q2M61Q5K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50584559
PNG
(CHEMBL5088876)
Show SMILES COc1cc(OC)cc(c1)-c1nc(N)nc(-c2ccccc2)c1C#N
PDB

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2.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01636
BindingDB Entry DOI: 10.7270/Q2M61Q5K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50584561
PNG
(CHEMBL5088749)
Show SMILES CNc1nc(-c2ccccc2)c(C#N)c(n1)-c1cccc(c1)C#N
PDB

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3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01636
BindingDB Entry DOI: 10.7270/Q2M61Q5K
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50159488
PNG
(CHEMBL3787197)
Show SMILES CC(C)OC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccco1 |c:6|
Show InChI InChI=1S/C19H19N3O3/c1-11(2)25-18(23)16-12(3)20-19-21-13-7-4-5-8-14(13)22(19)17(16)15-9-6-10-24-15/h4-11,17H,1-3H3,(H,20,21)
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3.5n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


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


J Med Chem 59: 1967-83 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01586
BindingDB Entry DOI: 10.7270/Q2QF8VS9
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50584588
PNG
(CHEMBL5084704)
Show SMILES CNc1nc(-c2ccccc2)c(C#N)c(n1)-c1cc(OC)c(OC)c(OC)c1
PDB
MMDB

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3.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]HZ241385 from human A2AAR expressed in HeLa cell membrane incubated for 30 mins by microbeta trilux scintillation counter analysi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01636
BindingDB Entry DOI: 10.7270/Q2M61Q5K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50584562
PNG
(CHEMBL5076412)
Show SMILES COc1ccc(c(OC)c1)-c1nc(N)nc(-c2ccccc2)c1C#N
PDB

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4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01636
BindingDB Entry DOI: 10.7270/Q2M61Q5K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50584563
PNG
(CHEMBL5083728)
Show SMILES Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccc(F)cc1F
PDB

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4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01636
BindingDB Entry DOI: 10.7270/Q2M61Q5K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50584564
PNG
(CHEMBL5085486)
Show SMILES Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccc(O)cc1
PDB

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4.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01636
BindingDB Entry DOI: 10.7270/Q2M61Q5K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50584565
PNG
(CHEMBL5071591)
Show SMILES Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccc(F)cc1
PDB

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4.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01636
BindingDB Entry DOI: 10.7270/Q2M61Q5K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50584566
PNG
(CHEMBL5072422)
Show SMILES Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1cccc(Cl)c1
PDB

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4.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01636
BindingDB Entry DOI: 10.7270/Q2M61Q5K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50375505
PNG
(CHEMBL259736)
Show SMILES Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1
Show InChI InChI=1S/C17H12N4/c18-11-14-15(12-7-3-1-4-8-12)20-17(19)21-16(14)13-9-5-2-6-10-13/h1-10H,(H2,19,20,21)
PDB

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4.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01636
BindingDB Entry DOI: 10.7270/Q2M61Q5K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50584567
PNG
(CHEMBL5074986)
Show SMILES Nc1nc(-c2cccc(Cl)c2)c(C#N)c(n1)-c1cccc(Cl)c1
PDB

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4.80n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01636
BindingDB Entry DOI: 10.7270/Q2M61Q5K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50584568
PNG
(CHEMBL5094160)
Show SMILES CCNc1nc(-c2ccccc2)c(C#N)c(n1)-c1cccc(Cl)c1
PDB

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5.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01636
BindingDB Entry DOI: 10.7270/Q2M61Q5K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50584569
PNG
(CHEMBL5069937)
Show SMILES Nc1nc(-c2ccsc2)c(C#N)c(n1)-c1ccccc1
PDB

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5.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01636
BindingDB Entry DOI: 10.7270/Q2M61Q5K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50584570
PNG
(CHEMBL5086094)
Show SMILES Cc1ccc(cc1)-c1nc(N)nc(-c2ccccc2)c1C#N
PDB

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5.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01636
BindingDB Entry DOI: 10.7270/Q2M61Q5K
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50229885
PNG
(CHEMBL260331 | CHEMBL506685 | N-(benzo[d][1,3]diox...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc3OCOc3c2)nn1C
Show InChI InChI=1S/C24H27N7O6/c1-4-8-30-22-20(23(33)31(9-5-2)24(30)34)26-21(27-22)15-11-19(28-29(15)3)35-12-18(32)25-14-6-7-16-17(10-14)37-13-36-16/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3,(H,25,32)(H,26,27)
PDB

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5.5n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H] DPCPX from human recombinant Adenosine A2B receptor expressed in HEK293 cells after 60 mins


J Med Chem 59: 1967-83 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01586
BindingDB Entry DOI: 10.7270/Q2QF8VS9
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50584571
PNG
(CHEMBL5083146)
Show SMILES Nc1nc(-c2ccc3OCOc3c2)c(C#N)c(n1)-c1cccc(Cl)c1
PDB

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5.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01636
BindingDB Entry DOI: 10.7270/Q2M61Q5K
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50584582
PNG
(CHEMBL5080757)
Show SMILES Nc1nc(-c2ccco2)c(C#N)c(n1)-c1ccc(F)cc1
PDB
MMDB

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5.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]HZ241385 from human A2AAR expressed in HeLa cell membrane incubated for 30 mins by microbeta trilux scintillation counter analysi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01636
BindingDB Entry DOI: 10.7270/Q2M61Q5K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50375488
PNG
(CHEMBL260396)
Show SMILES O=C(Nc1nc(nc(-c2ccc3OCOc3c2)c1C#N)-c1ccccc1)C1CCCC1
Show InChI InChI=1S/C24H20N4O3/c25-13-18-21(17-10-11-19-20(12-17)31-14-30-19)26-22(15-6-2-1-3-7-15)27-23(18)28-24(29)16-8-4-5-9-16/h1-3,6-7,10-12,16H,4-5,8-9,14H2,(H,26,27,28,29)
PDB

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5.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DPCPX from A1 adenosine receptor (unknown origin) expressed in CHO cell membrane incubated for 60 mins at room temperature by NXT...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01636
BindingDB Entry DOI: 10.7270/Q2M61Q5K
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50584581
PNG
(CHEMBL5082319)
Show SMILES Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccc2ccccc2c1
PDB
MMDB

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5.80n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]HZ241385 from human A2AAR expressed in HeLa cell membrane incubated for 30 mins by microbeta trilux scintillation counter analysi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01636
BindingDB Entry DOI: 10.7270/Q2M61Q5K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50584572
PNG
(CHEMBL5089926)
Show SMILES CCNc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1
PDB

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5.80n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01636
BindingDB Entry DOI: 10.7270/Q2M61Q5K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50584573
PNG
(CHEMBL5079656)
Show SMILES CNc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccc2OCOc2c1
PDB

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6.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01636
BindingDB Entry DOI: 10.7270/Q2M61Q5K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50584574
PNG
(CHEMBL5070276)
Show SMILES Fc1ccccc1-c1nc(Nc2ccccc2)nc(-c2ccccc2)c1C#N
PDB

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6.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01636
BindingDB Entry DOI: 10.7270/Q2M61Q5K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50584575
PNG
(CHEMBL5083457)
Show SMILES Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccccc1F
PDB

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6.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01636
BindingDB Entry DOI: 10.7270/Q2M61Q5K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50584576
PNG
(CHEMBL5079760)
Show SMILES Nc1nc(-c2ccccc2)c(C#N)c(n1)-c1cccc(c1)C#N
PDB

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6.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01636
BindingDB Entry DOI: 10.7270/Q2M61Q5K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50584578
PNG
(CHEMBL5076095)
Show SMILES CCNc1nc(-c2ccccc2)c(C#N)c(n1)-c1ccc2OCOc2c1
PDB

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6.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01636
BindingDB Entry DOI: 10.7270/Q2M61Q5K
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50584577
PNG
(CHEMBL5086673)
Show SMILES CNc1nc(-c2ccco2)c(C#N)c(n1)-c1ccccc1
PDB

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6.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01636
BindingDB Entry DOI: 10.7270/Q2M61Q5K
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50584556
PNG
(CHEMBL5086406)
Show SMILES COc1cccc(c1)-c1nc(N)nc(-c2ccccc2)c1C#N
PDB
MMDB

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6.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]HZ241385 from human A2AAR expressed in HeLa cell membrane incubated for 30 mins by microbeta trilux scintillation counter analysi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01636
BindingDB Entry DOI: 10.7270/Q2M61Q5K
More data for this
Ligand-Target Pair
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