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Compile Data Set for Download or QSAR

Found 85 hits with Last Name = 'svenningsson' and Initial = 'p'   
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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50274835
PNG
(CHEMBL511857 | trans-1-(4-(3-methoxyphenyl)cyclohe...)
Show SMILES COc1cccc(c1)[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:8.8,wD:11.15,(1.87,-39.15,;3.2,-38.38,;3.2,-36.84,;1.87,-36.07,;1.87,-34.53,;3.2,-33.76,;4.53,-34.52,;4.54,-36.07,;5.86,-33.74,;5.85,-32.21,;7.19,-31.43,;8.53,-32.2,;8.52,-33.74,;7.2,-34.51,;9.85,-31.43,;11.19,-32.21,;12.52,-31.44,;12.52,-29.9,;11.19,-29.13,;9.85,-29.9,;13.86,-29.14,;13.86,-27.61,;15.19,-26.84,;16.53,-27.61,;16.52,-29.15,;15.19,-29.92,)|
Show InChI InChI=1S/C22H29N3O/c1-26-21-6-4-5-19(17-21)18-8-10-20(11-9-18)24-13-15-25(16-14-24)22-7-2-3-12-23-22/h2-7,12,17-18,20H,8-11,13-16H2,1H3/t18-,20-
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0.0280n/an/an/an/an/an/an/an/a



Karolinska Institute and Karolinska University Hospital

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT1A receptor expressed in human HeLa cell membranes assessed as stimulation of [35S]GTPgammaS binding after 20 mins by l...


Bioorg Med Chem 23: 4824-30 (2015)


Article DOI: 10.1016/j.bmc.2015.05.042
BindingDB Entry DOI: 10.7270/Q21R6S8W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50107249
PNG
(1-[2-(7-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl...)
Show SMILES COc1ccc2CCC(CCN3CCN(CC3)c3ccccn3)Cc2c1
Show InChI InChI=1S/C22H29N3O/c1-26-21-8-7-19-6-5-18(16-20(19)17-21)9-11-24-12-14-25(15-13-24)22-4-2-3-10-23-22/h2-4,7-8,10,17-18H,5-6,9,11-16H2,1H3
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0.160n/an/an/an/an/an/an/an/a



Karolinska Institute and Karolinska University Hospital

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT1A receptor expressed in human HeLa cell membranes assessed as stimulation of [35S]GTPgammaS binding after 20 mins by l...


Bioorg Med Chem 23: 4824-30 (2015)


Article DOI: 10.1016/j.bmc.2015.05.042
BindingDB Entry DOI: 10.7270/Q21R6S8W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM21392
PNG
(3-(2-aminoethyl)-1H-indole-5-carboxamide | 5-CT | ...)
Show SMILES NCCc1c[nH]c2ccc(cc12)C(N)=O
Show InChI InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)
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0.300n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human cloned 5HT7 receptor


J Med Chem 55: 6375-80 (2012)


Article DOI: 10.1021/jm3003679
BindingDB Entry DOI: 10.7270/Q2N87BWQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50033843
PNG
(1-[3-(5-Methoxy-3,4-dihydro-2H-naphthalen-1-yliden...)
Show SMILES COc1cccc2\C(CCCc12)=C\CCN1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C23H29N3O/c1-27-22-11-5-9-20-19(7-4-10-21(20)22)8-6-14-25-15-17-26(18-16-25)23-12-2-3-13-24-23/h2-3,5,8-9,11-13H,4,6-7,10,14-18H2,1H3/b19-8+
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0.310n/an/an/an/an/an/an/an/a



Karolinska Institute and Karolinska University Hospital

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT1A receptor expressed in human HeLa cell membranes assessed as stimulation of [35S]GTPgammaS binding after 20 mins by l...


Bioorg Med Chem 23: 4824-30 (2015)


Article DOI: 10.1016/j.bmc.2015.05.042
BindingDB Entry DOI: 10.7270/Q21R6S8W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50107234
PNG
(1-[3-(5-Methoxy-naphthalen-1-yl)-propyl]-4-pyridin...)
Show SMILES COc1cccc2c(CCCN3CCN(CC3)c3ccccn3)cccc12
Show InChI InChI=1S/C23H27N3O/c1-27-22-11-5-9-20-19(7-4-10-21(20)22)8-6-14-25-15-17-26(18-16-25)23-12-2-3-13-24-23/h2-5,7,9-13H,6,8,14-18H2,1H3
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0.380n/an/an/an/an/an/an/an/a



Karolinska Institute and Karolinska University Hospital

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT1A receptor expressed in human HeLa cell membranes assessed as stimulation of [35S]GTPgammaS binding after 20 mins by l...


Bioorg Med Chem 23: 4824-30 (2015)


Article DOI: 10.1016/j.bmc.2015.05.042
BindingDB Entry DOI: 10.7270/Q21R6S8W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50033852
PNG
(1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl...)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)c3ccccn3)CCCc12
Show InChI InChI=1S/C23H31N3O/c1-27-22-11-5-9-20-19(7-4-10-21(20)22)8-6-14-25-15-17-26(18-16-25)23-12-2-3-13-24-23/h2-3,5,9,11-13,19H,4,6-8,10,14-18H2,1H3
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0.480n/an/an/an/an/an/an/an/a



Karolinska Institute and Karolinska University Hospital

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT1A receptor expressed in human HeLa cell membranes assessed as stimulation of [35S]GTPgammaS binding after 20 mins by l...


Bioorg Med Chem 23: 4824-30 (2015)


Article DOI: 10.1016/j.bmc.2015.05.042
BindingDB Entry DOI: 10.7270/Q21R6S8W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM50253281
PNG
(CHEMBL522691 | N-(4-Cyanophenylmethyl)-4-(2-diphen...)
Show SMILES O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)NCc1ccc(cc1)C#N
Show InChI InChI=1S/C30H34N4O/c31-23-25-14-16-26(17-15-25)24-32-30(35)13-5-2-8-18-33-19-21-34(22-20-33)29-12-7-6-11-28(29)27-9-3-1-4-10-27/h1,3-4,6-7,9-12,14-17H,2,5,8,13,18-22,24H2,(H,32,35)
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0.580n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Binding affinity to rat cloned 5HT7 receptor


J Med Chem 55: 6375-80 (2012)


Article DOI: 10.1021/jm3003679
BindingDB Entry DOI: 10.7270/Q2N87BWQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50395191
PNG
(CHEMBL494675)
Show SMILES C1CN(CCN1)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C16H18N2/c1-2-6-14(7-3-1)15-8-4-5-9-16(15)18-12-10-17-11-13-18/h1-9,17H,10-13H2
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1.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human cloned 5HT7 receptor


J Med Chem 55: 6375-80 (2012)


Article DOI: 10.1021/jm3003679
BindingDB Entry DOI: 10.7270/Q2N87BWQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50395193
PNG
(CHEMBL2164330)
Show SMILES Cc1ccccc1-c1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C17H20N2/c1-14-5-2-3-8-17(14)15-6-4-7-16(13-15)19-11-9-18-10-12-19/h2-8,13,18H,9-12H2,1H3
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1.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human cloned 5HT7 receptor


J Med Chem 55: 6375-80 (2012)


Article DOI: 10.1021/jm3003679
BindingDB Entry DOI: 10.7270/Q2N87BWQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50395187
PNG
(CHEMBL2164334)
Show SMILES Cc1ccc(cc1C)-c1ccccc1N1CCNCC1
Show InChI InChI=1S/C18H22N2/c1-14-7-8-16(13-15(14)2)17-5-3-4-6-18(17)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3
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1.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human cloned 5HT7 receptor


J Med Chem 55: 6375-80 (2012)


Article DOI: 10.1021/jm3003679
BindingDB Entry DOI: 10.7270/Q2N87BWQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50395192
PNG
(CHEMBL2164336)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCNCC1
Show InChI InChI=1S/C17H20N2O/c1-20-15-8-6-14(7-9-15)16-4-2-3-5-17(16)19-12-10-18-11-13-19/h2-9,18H,10-13H2,1H3
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2.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human cloned 5HT7 receptor


J Med Chem 55: 6375-80 (2012)


Article DOI: 10.1021/jm3003679
BindingDB Entry DOI: 10.7270/Q2N87BWQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50395189
PNG
(CHEMBL2164332)
Show SMILES Fc1ccc(cc1)-c1ccccc1N1CCNCC1
Show InChI InChI=1S/C16H17FN2/c17-14-7-5-13(6-8-14)15-3-1-2-4-16(15)19-11-9-18-10-12-19/h1-8,18H,9-12H2
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2.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human cloned 5HT7 receptor


J Med Chem 55: 6375-80 (2012)


Article DOI: 10.1021/jm3003679
BindingDB Entry DOI: 10.7270/Q2N87BWQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50395198
PNG
(CHEMBL2164329)
Show SMILES Cc1ccccc1-c1ccccc1N1CCNCC1
Show InChI InChI=1S/C17H20N2/c1-14-6-2-3-7-15(14)16-8-4-5-9-17(16)19-12-10-18-11-13-19/h2-9,18H,10-13H2,1H3
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6.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human cloned 5HT7 receptor


J Med Chem 55: 6375-80 (2012)


Article DOI: 10.1021/jm3003679
BindingDB Entry DOI: 10.7270/Q2N87BWQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50395203
PNG
(CHEMBL2164338)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1ccccc1N1CCNCC1
Show InChI InChI=1S/C16H17N3O2/c20-19(21)14-7-5-13(6-8-14)15-3-1-2-4-16(15)18-11-9-17-10-12-18/h1-8,17H,9-12H2
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7n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human cloned 5HT7 receptor


J Med Chem 55: 6375-80 (2012)


Article DOI: 10.1021/jm3003679
BindingDB Entry DOI: 10.7270/Q2N87BWQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50395194
PNG
(CHEMBL2164343)
Show SMILES COc1cccc(OC)c1-c1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C18H22N2O2/c1-21-16-7-4-8-17(22-2)18(16)14-5-3-6-15(13-14)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3
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7.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human cloned 5HT7 receptor


J Med Chem 55: 6375-80 (2012)


Article DOI: 10.1021/jm3003679
BindingDB Entry DOI: 10.7270/Q2N87BWQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50395199
PNG
(CHEMBL2164328)
Show SMILES COc1ccccc1-c1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C17H20N2O/c1-20-17-8-3-2-7-16(17)14-5-4-6-15(13-14)19-11-9-18-10-12-19/h2-8,13,18H,9-12H2,1H3
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8.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human cloned 5HT7 receptor


J Med Chem 55: 6375-80 (2012)


Article DOI: 10.1021/jm3003679
BindingDB Entry DOI: 10.7270/Q2N87BWQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human cloned 5HT1A receptor


J Med Chem 55: 6375-80 (2012)


Article DOI: 10.1021/jm3003679
BindingDB Entry DOI: 10.7270/Q2N87BWQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50395196
PNG
(CHEMBL2164339)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C16H17N3O2/c20-19(21)15-6-4-13(5-7-15)14-2-1-3-16(12-14)18-10-8-17-9-11-18/h1-7,12,17H,8-11H2
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13n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human cloned 5HT7 receptor


J Med Chem 55: 6375-80 (2012)


Article DOI: 10.1021/jm3003679
BindingDB Entry DOI: 10.7270/Q2N87BWQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50395195
PNG
(CHEMBL2164341)
Show SMILES C1CN(CCN1)c1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C15H17N3/c1-2-7-17-15(6-1)13-4-3-5-14(12-13)18-10-8-16-9-11-18/h1-7,12,16H,8-11H2
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14.9n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human cloned 5HT1A receptor


J Med Chem 55: 6375-80 (2012)


Article DOI: 10.1021/jm3003679
BindingDB Entry DOI: 10.7270/Q2N87BWQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50253281
PNG
(CHEMBL522691 | N-(4-Cyanophenylmethyl)-4-(2-diphen...)
Show SMILES O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)NCc1ccc(cc1)C#N
Show InChI InChI=1S/C30H34N4O/c31-23-25-14-16-26(17-15-25)24-32-30(35)13-5-2-8-18-33-19-21-34(22-20-33)29-12-7-6-11-28(29)27-9-3-1-4-10-27/h1,3-4,6-7,9-12,14-17H,2,5,8,13,18-22,24H2,(H,32,35)
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15n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human cloned 5HT7 receptor


J Med Chem 55: 6375-80 (2012)


Article DOI: 10.1021/jm3003679
BindingDB Entry DOI: 10.7270/Q2N87BWQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50395193
PNG
(CHEMBL2164330)
Show SMILES Cc1ccccc1-c1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C17H20N2/c1-14-5-2-3-8-17(14)15-6-4-7-16(13-15)19-11-9-18-10-12-19/h2-8,13,18H,9-12H2,1H3
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17.4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human cloned 5HT1A receptor


J Med Chem 55: 6375-80 (2012)


Article DOI: 10.1021/jm3003679
BindingDB Entry DOI: 10.7270/Q2N87BWQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50395200
PNG
(CHEMBL2164344)
Show SMILES COc1ccccc1-c1ccccc1N1CCNCC1
Show InChI InChI=1S/C17H20N2O/c1-20-17-9-5-3-7-15(17)14-6-2-4-8-16(14)19-12-10-18-11-13-19/h2-9,18H,10-13H2,1H3
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18.4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human cloned 5HT7 receptor


J Med Chem 55: 6375-80 (2012)


Article DOI: 10.1021/jm3003679
BindingDB Entry DOI: 10.7270/Q2N87BWQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50274075
PNG
(CHEMBL1561896)
Show SMILES COc1cccc(COC(=O)c2nn(nc2N)-c2ccccc2)c1
Show InChI InChI=1S/C17H16N4O3/c1-23-14-9-5-6-12(10-14)11-24-17(22)15-16(18)20-21(19-15)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H2,18,20)
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19n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from A2A receptor in human HeLa cell membranes after 30 mins by beta-scintillation counting method


J Med Chem 61: 5269-5278 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00204
BindingDB Entry DOI: 10.7270/Q2SJ1P38
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50274073
PNG
(CHEMBL4126651)
Show SMILES Nc1nn(nc1C(=O)NCc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C16H15N5O/c17-15-14(16(22)18-11-12-7-3-1-4-8-12)19-21(20-15)13-9-5-2-6-10-13/h1-10H,11H2,(H2,17,20)(H,18,22)
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23n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from A2A receptor in human HeLa cell membranes after 30 mins by beta-scintillation counting method


J Med Chem 61: 5269-5278 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00204
BindingDB Entry DOI: 10.7270/Q2SJ1P38
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50107245
PNG
(1-[4-(3-Methoxy-phenyl)-butyl]-4-pyridin-2-yl-pipe...)
Show SMILES COc1cccc(CCCCN2CCN(CC2)c2ccccn2)c1
Show InChI InChI=1S/C20H27N3O/c1-24-19-9-6-8-18(17-19)7-3-5-12-22-13-15-23(16-14-22)20-10-2-4-11-21-20/h2,4,6,8-11,17H,3,5,7,12-16H2,1H3
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23n/an/an/an/an/an/an/an/a



Karolinska Institute and Karolinska University Hospital

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT1A receptor expressed in human HeLa cell membranes assessed as stimulation of [35S]GTPgammaS binding after 20 mins by l...


Bioorg Med Chem 23: 4824-30 (2015)


Article DOI: 10.1016/j.bmc.2015.05.042
BindingDB Entry DOI: 10.7270/Q21R6S8W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50395202
PNG
(CHEMBL2164340)
Show SMILES C1CN(CCN1)c1ccccc1-c1ccccn1
Show InChI InChI=1S/C15H17N3/c1-2-7-15(18-11-9-16-10-12-18)13(5-1)14-6-3-4-8-17-14/h1-8,16H,9-12H2
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23n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human cloned 5HT7 receptor


J Med Chem 55: 6375-80 (2012)


Article DOI: 10.1021/jm3003679
BindingDB Entry DOI: 10.7270/Q2N87BWQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50395190
PNG
(CHEMBL2164331)
Show SMILES C1CN(CCN1)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C16H18N2/c1-2-5-14(6-3-1)15-7-4-8-16(13-15)18-11-9-17-10-12-18/h1-8,13,17H,9-12H2
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25n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human cloned 5HT7 receptor


J Med Chem 55: 6375-80 (2012)


Article DOI: 10.1021/jm3003679
BindingDB Entry DOI: 10.7270/Q2N87BWQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50274076
PNG
(CHEMBL1384623)
Show SMILES Nc1nn(nc1C(=O)OCc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C16H14N4O2/c17-15-14(16(21)22-11-12-7-3-1-4-8-12)18-20(19-15)13-9-5-2-6-10-13/h1-10H,11H2,(H2,17,19)
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31n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from A2A receptor in human HeLa cell membranes after 30 mins by beta-scintillation counting method


J Med Chem 61: 5269-5278 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00204
BindingDB Entry DOI: 10.7270/Q2SJ1P38
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50395196
PNG
(CHEMBL2164339)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C16H17N3O2/c20-19(21)15-6-4-13(5-7-15)14-2-1-3-16(12-14)18-10-8-17-9-11-18/h1-7,12,17H,8-11H2
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31.4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human cloned 5HT1A receptor


J Med Chem 55: 6375-80 (2012)


Article DOI: 10.1021/jm3003679
BindingDB Entry DOI: 10.7270/Q2N87BWQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50274068
PNG
(CHEMBL1411671)
Show SMILES Cc1ccccc1COC(=O)c1nn(nc1N)-c1ccccc1
Show InChI InChI=1S/C17H16N4O2/c1-12-7-5-6-8-13(12)11-23-17(22)15-16(18)20-21(19-15)14-9-3-2-4-10-14/h2-10H,11H2,1H3,(H2,18,20)
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49n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from A2A receptor in human HeLa cell membranes after 30 mins by beta-scintillation counting method


J Med Chem 61: 5269-5278 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00204
BindingDB Entry DOI: 10.7270/Q2SJ1P38
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50395188
PNG
(CHEMBL2164333)
Show SMILES Fc1ccc(cc1)-c1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C16H17FN2/c17-15-6-4-13(5-7-15)14-2-1-3-16(12-14)19-10-8-18-9-11-19/h1-7,12,18H,8-11H2
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63.2n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human cloned 5HT1A receptor


J Med Chem 55: 6375-80 (2012)


Article DOI: 10.1021/jm3003679
BindingDB Entry DOI: 10.7270/Q2N87BWQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50395190
PNG
(CHEMBL2164331)
Show SMILES C1CN(CCN1)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C16H18N2/c1-2-5-14(6-3-1)15-7-4-8-16(13-15)18-11-9-17-10-12-18/h1-8,13,17H,9-12H2
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72.1n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human cloned 5HT1A receptor


J Med Chem 55: 6375-80 (2012)


Article DOI: 10.1021/jm3003679
BindingDB Entry DOI: 10.7270/Q2N87BWQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50395195
PNG
(CHEMBL2164341)
Show SMILES C1CN(CCN1)c1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C15H17N3/c1-2-7-17-15(6-1)13-4-3-5-14(12-13)18-10-8-16-9-11-18/h1-7,12,16H,8-11H2
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80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human cloned 5HT7 receptor


J Med Chem 55: 6375-80 (2012)


Article DOI: 10.1021/jm3003679
BindingDB Entry DOI: 10.7270/Q2N87BWQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM50007407
PNG
(1-NP | 1-Naphthalen-1-yl-piperazine | 4-Naphthalen...)
Show SMILES C1CN(CCN1)c1cccc2ccccc12
Show InChI InChI=1S/C14H16N2/c1-2-6-13-12(4-1)5-3-7-14(13)16-10-8-15-9-11-16/h1-7,15H,8-11H2
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83n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from rat rat kidney proximal convoluted tubule 5HT7R expressed in COS7 cells


J Med Chem 55: 6375-80 (2012)


Article DOI: 10.1021/jm3003679
BindingDB Entry DOI: 10.7270/Q2N87BWQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50395205
PNG
(CHEMBL2164335)
Show SMILES Cc1ccc(cc1C)-c1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C18H22N2/c1-14-6-7-17(12-15(14)2)16-4-3-5-18(13-16)20-10-8-19-9-11-20/h3-7,12-13,19H,8-11H2,1-2H3
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93n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human cloned 5HT7 receptor


J Med Chem 55: 6375-80 (2012)


Article DOI: 10.1021/jm3003679
BindingDB Entry DOI: 10.7270/Q2N87BWQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50395201
PNG
(CHEMBL2164342)
Show SMILES COc1cccc(OC)c1-c1ccccc1N1CCNCC1 |(30.32,-37.94,;31.66,-38.71,;32.99,-37.94,;34.32,-38.7,;35.65,-37.93,;35.65,-36.38,;34.31,-35.62,;35.4,-34.52,;36.89,-34.91,;32.99,-36.4,;31.66,-35.63,;30.32,-36.4,;28.99,-35.63,;28.99,-34.09,;30.32,-33.32,;31.66,-34.08,;32.98,-33.31,;34.32,-34.07,;35.64,-33.31,;35.64,-31.77,;34.31,-31,;32.97,-31.77,)|
Show InChI InChI=1S/C18H22N2O2/c1-21-16-8-5-9-17(22-2)18(16)14-6-3-4-7-15(14)20-12-10-19-11-13-20/h3-9,19H,10-13H2,1-2H3
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96n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human cloned 5HT7 receptor


J Med Chem 55: 6375-80 (2012)


Article DOI: 10.1021/jm3003679
BindingDB Entry DOI: 10.7270/Q2N87BWQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50274069
PNG
(CHEMBL4128848)
Show SMILES Clc1cccc2nc(NC(=O)c3ccccc3)[nH]c12
Show InChI InChI=1S/C14H10ClN3O/c15-10-7-4-8-11-12(10)17-14(16-11)18-13(19)9-5-2-1-3-6-9/h1-8H,(H2,16,17,18,19)
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99n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from A2A receptor in human HeLa cell membranes after 30 mins by beta-scintillation counting method


J Med Chem 61: 5269-5278 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00204
BindingDB Entry DOI: 10.7270/Q2SJ1P38
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50395191
PNG
(CHEMBL494675)
Show SMILES C1CN(CCN1)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C16H18N2/c1-2-6-14(7-3-1)15-8-4-5-9-16(15)18-12-10-17-11-13-18/h1-9,17H,10-13H2
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99n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human cloned 5HT1A receptor


J Med Chem 55: 6375-80 (2012)


Article DOI: 10.1021/jm3003679
BindingDB Entry DOI: 10.7270/Q2N87BWQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50395188
PNG
(CHEMBL2164333)
Show SMILES Fc1ccc(cc1)-c1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C16H17FN2/c17-15-6-4-13(5-7-15)14-2-1-3-16(12-14)19-10-8-18-9-11-19/h1-7,12,18H,8-11H2
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109n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human cloned 5HT7 receptor


J Med Chem 55: 6375-80 (2012)


Article DOI: 10.1021/jm3003679
BindingDB Entry DOI: 10.7270/Q2N87BWQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50395194
PNG
(CHEMBL2164343)
Show SMILES COc1cccc(OC)c1-c1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C18H22N2O2/c1-21-16-7-4-8-17(22-2)18(16)14-5-3-6-15(13-14)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3
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149n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human cloned 5HT1A receptor


J Med Chem 55: 6375-80 (2012)


Article DOI: 10.1021/jm3003679
BindingDB Entry DOI: 10.7270/Q2N87BWQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM42435
PNG
((4-methylphenyl)methyl 5-amino-2-phenyltriazole-4-...)
Show SMILES Cc1ccc(COC(=O)c2nn(nc2N)-c2ccccc2)cc1
Show InChI InChI=1S/C17H16N4O2/c1-12-7-9-13(10-8-12)11-23-17(22)15-16(18)20-21(19-15)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H2,18,20)
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150n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from A2A receptor in human HeLa cell membranes after 30 mins by beta-scintillation counting method


J Med Chem 61: 5269-5278 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00204
BindingDB Entry DOI: 10.7270/Q2SJ1P38
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50274075
PNG
(CHEMBL1561896)
Show SMILES COc1cccc(COC(=O)c2nn(nc2N)-c2ccccc2)c1
Show InChI InChI=1S/C17H16N4O3/c1-23-14-9-5-6-12(10-14)11-24-17(22)15-16(18)20-21(19-15)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H2,18,20)
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190n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B receptor expressed in cell membranes after 30 mins by beta-scintillation counting method


J Med Chem 61: 5269-5278 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00204
BindingDB Entry DOI: 10.7270/Q2SJ1P38
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50274075
PNG
(CHEMBL1561896)
Show SMILES COc1cccc(COC(=O)c2nn(nc2N)-c2ccccc2)c1
Show InChI InChI=1S/C17H16N4O3/c1-23-14-9-5-6-12(10-14)11-24-17(22)15-16(18)20-21(19-15)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H2,18,20)
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220n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A1 receptor expressed in cell membranes after 60 mins by beta-scintillation counting method


J Med Chem 61: 5269-5278 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00204
BindingDB Entry DOI: 10.7270/Q2SJ1P38
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50274069
PNG
(CHEMBL4128848)
Show SMILES Clc1cccc2nc(NC(=O)c3ccccc3)[nH]c12
Show InChI InChI=1S/C14H10ClN3O/c15-10-7-4-8-11-12(10)17-14(16-11)18-13(19)9-5-2-1-3-6-9/h1-8H,(H2,16,17,18,19)
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230n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B receptor expressed in cell membranes after 30 mins by beta-scintillation counting method


J Med Chem 61: 5269-5278 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00204
BindingDB Entry DOI: 10.7270/Q2SJ1P38
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM50001862
PNG
((N-(o-methoxyphenyl)piperazine)1-(2-Methoxy-phenyl...)
Show SMILES COc1ccccc1N1CCNCC1
Show InChI InChI=1S/C11H16N2O/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
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243n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from rat rat kidney proximal convoluted tubule 5HT7R expressed in COS7 cells


J Med Chem 55: 6375-80 (2012)


Article DOI: 10.1021/jm3003679
BindingDB Entry DOI: 10.7270/Q2N87BWQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50274072
PNG
(CHEMBL4126042)
Show SMILES Cc1cccc(c1)-n1nc(N)c(n1)C(=O)CCc1ccccc1
Show InChI InChI=1S/C18H18N4O/c1-13-6-5-9-15(12-13)22-20-17(18(19)21-22)16(23)11-10-14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3,(H2,19,21)
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250n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from A2A receptor in human HeLa cell membranes after 30 mins by beta-scintillation counting method


J Med Chem 61: 5269-5278 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00204
BindingDB Entry DOI: 10.7270/Q2SJ1P38
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM50001915
PNG
(1-(3-chlorophenyl)piperazine | CHEMBL478 | m-Chlor...)
Show SMILES Clc1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
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352n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from rat rat kidney proximal convoluted tubule 5HT7R expressed in COS7 cells


J Med Chem 55: 6375-80 (2012)


Article DOI: 10.1021/jm3003679
BindingDB Entry DOI: 10.7270/Q2N87BWQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50395192
PNG
(CHEMBL2164336)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCNCC1
Show InChI InChI=1S/C17H20N2O/c1-20-15-8-6-14(7-9-15)16-4-2-3-5-17(16)19-12-10-18-11-13-19/h2-9,18H,10-13H2,1H3
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476n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human cloned 5HT1A receptor


J Med Chem 55: 6375-80 (2012)


Article DOI: 10.1021/jm3003679
BindingDB Entry DOI: 10.7270/Q2N87BWQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50274071
PNG
(CHEMBL4128696)
Show SMILES COc1cccc2nc(NC(=O)c3ccccc3)[nH]c12
Show InChI InChI=1S/C15H13N3O2/c1-20-12-9-5-8-11-13(12)17-15(16-11)18-14(19)10-6-3-2-4-7-10/h2-9H,1H3,(H2,16,17,18,19)
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530n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from A2A receptor in human HeLa cell membranes after 30 mins by beta-scintillation counting method


J Med Chem 61: 5269-5278 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00204
BindingDB Entry DOI: 10.7270/Q2SJ1P38
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50274067
PNG
(CHEMBL4128108)
Show SMILES Nc1nn(nc1C(=O)CCc1ccccc1)-c1ccccc1Cl
Show InChI InChI=1S/C17H15ClN4O/c18-13-8-4-5-9-14(13)22-20-16(17(19)21-22)15(23)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,19,21)
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630n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from A2A receptor in human HeLa cell membranes after 30 mins by beta-scintillation counting method


J Med Chem 61: 5269-5278 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00204
BindingDB Entry DOI: 10.7270/Q2SJ1P38
More data for this
Ligand-Target Pair
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