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Compile Data Set for Download or QSAR

Found 197 hits with Last Name = 'pekala' and Initial = 'e'   
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 7 (5-HT7)


(Homo sapiens (Human))
BDBM78940
PNG
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
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0.400n/an/an/an/an/an/a7.4n/a



Jagiellonian University Medical College



Assay Description
Binding experiments were conducted in 96-well microplates in a total volume of 250 μL of buffer (50 mM Tris-HCl pH 7.4, 10 mM MgCl2, 1 mM EDTA)....


Chem Biol Drug Des 89: 339-352 (2017)


Article DOI: 10.1111/cbdd.12842
BindingDB Entry DOI: 10.7270/Q2PN94GQ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM78940
PNG
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
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1n/an/an/an/an/an/a7.4n/a



Jagiellonian University Medical College



Assay Description
Binding experiments were conducted in 96-well microplates in a total volume of 250 μL of buffer (50 mM Tris-HCl pH 7.4, 10 mM MgCl2, 0.5 mM EDTA...


Chem Biol Drug Des 89: 339-352 (2017)


Article DOI: 10.1111/cbdd.12842
BindingDB Entry DOI: 10.7270/Q2PN94GQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(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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1.20n/an/an/an/an/an/a7.4n/a



Jagiellonian University Medical College



Assay Description
Binding experiments were conducted in 96-well microplates in a total volume of 250 μL of buffer (50 mM Tris-HCl pH 7.4, 10 mM MgCl2, 0.5 mM EDTA...


Chem Biol Drug Des 89: 339-352 (2017)


Article DOI: 10.1111/cbdd.12842
BindingDB Entry DOI: 10.7270/Q2PN94GQ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50134678
PNG
(CHEMBL3745815)
Show SMILES CN(C1CCN(CCOc2ccccc2-c2ccccc2)CC1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C26H29FN2O3S/c1-28(33(30,31)24-13-11-22(27)12-14-24)23-15-17-29(18-16-23)19-20-32-26-10-6-5-9-25(26)21-7-3-2-4-8-21/h2-14,23H,15-20H2,1H3
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5n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7B receptor expressed in HEK293 cells incubated for 1 hr


Bioorg Med Chem 24: 130-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.041
BindingDB Entry DOI: 10.7270/Q2W95C1P
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50134679
PNG
(CHEMBL3747003)
Show SMILES CN(C1CCN(CCOc2ccccc2-c2ccccc2)CC1)S(=O)(=O)c1cnn(C)c1
Show InChI InChI=1S/C24H30N4O3S/c1-26-19-22(18-25-26)32(29,30)27(2)21-12-14-28(15-13-21)16-17-31-24-11-7-6-10-23(24)20-8-4-3-5-9-20/h3-11,18-19,21H,12-17H2,1-2H3
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7n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7B receptor expressed in HEK293 cells incubated for 1 hr


Bioorg Med Chem 24: 130-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.041
BindingDB Entry DOI: 10.7270/Q2W95C1P
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50134687
PNG
(CHEMBL3747052)
Show SMILES CC(C)c1ccccc1OCCN1CCC(CC1)N(C)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H32N2O3S/c1-19(2)22-11-7-8-12-23(22)28-18-17-25-15-13-20(14-16-25)24(3)29(26,27)21-9-5-4-6-10-21/h4-12,19-20H,13-18H2,1-3H3
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9n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7B receptor expressed in HEK293 cells incubated for 1 hr


Bioorg Med Chem 24: 130-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.041
BindingDB Entry DOI: 10.7270/Q2W95C1P
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50134690
PNG
(CHEMBL3747459)
Show SMILES CC(C)c1ccccc1OCCN1CCC(CC1)N(C)S(=O)(=O)c1cnn(C)c1
Show InChI InChI=1S/C21H32N4O3S/c1-17(2)20-7-5-6-8-21(20)28-14-13-25-11-9-18(10-12-25)24(4)29(26,27)19-15-22-23(3)16-19/h5-8,15-18H,9-14H2,1-4H3
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10n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7B receptor expressed in HEK293 cells incubated for 1 hr


Bioorg Med Chem 24: 130-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.041
BindingDB Entry DOI: 10.7270/Q2W95C1P
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50134686
PNG
(CHEMBL3747240)
Show SMILES Cn1cc(cn1)S(=O)(=O)N(CC1CC1)C1CCN(CCOc2ccccc2-c2ccccc2)CC1
Show InChI InChI=1S/C27H34N4O3S/c1-29-21-25(19-28-29)35(32,33)31(20-22-11-12-22)24-13-15-30(16-14-24)17-18-34-27-10-6-5-9-26(27)23-7-3-2-4-8-23/h2-10,19,21-22,24H,11-18,20H2,1H3
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10n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7B receptor expressed in HEK293 cells incubated for 1 hr


Bioorg Med Chem 24: 130-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.041
BindingDB Entry DOI: 10.7270/Q2W95C1P
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50134689
PNG
(CHEMBL3747071)
Show SMILES CC(C)c1ccccc1OCCN1CCC(CC1)N(C)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H31FN2O3S/c1-18(2)22-6-4-5-7-23(22)29-17-16-26-14-12-20(13-15-26)25(3)30(27,28)21-10-8-19(24)9-11-21/h4-11,18,20H,12-17H2,1-3H3
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13n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7B receptor expressed in HEK293 cells incubated for 1 hr


Bioorg Med Chem 24: 130-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.041
BindingDB Entry DOI: 10.7270/Q2W95C1P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50134680
PNG
(CHEMBL3747148)
Show SMILES CC(C)c1ccccc1OCCN1CCC(CC1)N(CC1CC1)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C26H35FN2O3S/c1-20(2)25-8-3-4-9-26(25)32-17-16-28-14-12-23(13-15-28)29(19-21-10-11-21)33(30,31)24-7-5-6-22(27)18-24/h3-9,18,20-21,23H,10-17,19H2,1-2H3
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15n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-Raclopride from human dopamine D2L receptor expressed in HEK293 cells incubated for 1 hr


Bioorg Med Chem 24: 130-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.041
BindingDB Entry DOI: 10.7270/Q2W95C1P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50134686
PNG
(CHEMBL3747240)
Show SMILES Cn1cc(cn1)S(=O)(=O)N(CC1CC1)C1CCN(CCOc2ccccc2-c2ccccc2)CC1
Show InChI InChI=1S/C27H34N4O3S/c1-29-21-25(19-28-29)35(32,33)31(20-22-11-12-22)24-13-15-30(16-14-24)17-18-34-27-10-6-5-9-26(27)23-7-3-2-4-8-23/h2-10,19,21-22,24H,11-18,20H2,1H3
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16n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-Raclopride from human dopamine D2L receptor expressed in HEK293 cells incubated for 1 hr


Bioorg Med Chem 24: 130-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.041
BindingDB Entry DOI: 10.7270/Q2W95C1P
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50134685
PNG
(CHEMBL3745853)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N(CC1CC1)C1CCN(CCOc2ccccc2-c2ccccc2)CC1
Show InChI InChI=1S/C29H33FN2O3S/c30-25-12-14-27(15-13-25)36(33,34)32(22-23-10-11-23)26-16-18-31(19-17-26)20-21-35-29-9-5-4-8-28(29)24-6-2-1-3-7-24/h1-9,12-15,23,26H,10-11,16-22H2
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18n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7B receptor expressed in HEK293 cells incubated for 1 hr


Bioorg Med Chem 24: 130-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.041
BindingDB Entry DOI: 10.7270/Q2W95C1P
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50134688
PNG
(CHEMBL3747114)
Show SMILES CC(C)c1ccccc1OCCN1CCC(CC1)N(C)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C23H31FN2O3S/c1-18(2)22-9-4-5-10-23(22)29-16-15-26-13-11-20(12-14-26)25(3)30(27,28)21-8-6-7-19(24)17-21/h4-10,17-18,20H,11-16H2,1-3H3
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18n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7B receptor expressed in HEK293 cells incubated for 1 hr


Bioorg Med Chem 24: 130-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.041
BindingDB Entry DOI: 10.7270/Q2W95C1P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50134682
PNG
(CHEMBL3745882)
Show SMILES CC(C)c1ccccc1OCCN1CCC(CC1)N(CC1CC1)S(=O)(=O)c1cnn(C)c1
Show InChI InChI=1S/C24H36N4O3S/c1-19(2)23-6-4-5-7-24(23)31-15-14-27-12-10-21(11-13-27)28(17-20-8-9-20)32(29,30)22-16-25-26(3)18-22/h4-7,16,18-21H,8-15,17H2,1-3H3
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18n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-Raclopride from human dopamine D2L receptor expressed in HEK293 cells incubated for 1 hr


Bioorg Med Chem 24: 130-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.041
BindingDB Entry DOI: 10.7270/Q2W95C1P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50134681
PNG
(CHEMBL3747744)
Show SMILES CC(C)c1ccccc1OCCN1CCC(CC1)N(CC1CC1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C26H35FN2O3S/c1-20(2)25-5-3-4-6-26(25)32-18-17-28-15-13-23(14-16-28)29(19-21-7-8-21)33(30,31)24-11-9-22(27)10-12-24/h3-6,9-12,20-21,23H,7-8,13-19H2,1-2H3
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20n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-Raclopride from human dopamine D2L receptor expressed in HEK293 cells incubated for 1 hr


Bioorg Med Chem 24: 130-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.041
BindingDB Entry DOI: 10.7270/Q2W95C1P
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50134681
PNG
(CHEMBL3747744)
Show SMILES CC(C)c1ccccc1OCCN1CCC(CC1)N(CC1CC1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C26H35FN2O3S/c1-20(2)25-5-3-4-6-26(25)32-18-17-28-15-13-23(14-16-28)29(19-21-7-8-21)33(30,31)24-11-9-22(27)10-12-24/h3-6,9-12,20-21,23H,7-8,13-19H2,1-2H3
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28n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7B receptor expressed in HEK293 cells incubated for 1 hr


Bioorg Med Chem 24: 130-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.041
BindingDB Entry DOI: 10.7270/Q2W95C1P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50134686
PNG
(CHEMBL3747240)
Show SMILES Cn1cc(cn1)S(=O)(=O)N(CC1CC1)C1CCN(CCOc2ccccc2-c2ccccc2)CC1
Show InChI InChI=1S/C27H34N4O3S/c1-29-21-25(19-28-29)35(32,33)31(20-22-11-12-22)24-13-15-30(16-14-24)17-18-34-27-10-6-5-9-26(27)23-7-3-2-4-8-23/h2-10,19,21-22,24H,11-18,20H2,1H3
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30n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from human 5-HT2A receptor expressed in HEK293 cells incubated for 1 hr


Bioorg Med Chem 24: 130-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.041
BindingDB Entry DOI: 10.7270/Q2W95C1P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50134678
PNG
(CHEMBL3745815)
Show SMILES CN(C1CCN(CCOc2ccccc2-c2ccccc2)CC1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C26H29FN2O3S/c1-28(33(30,31)24-13-11-22(27)12-14-24)23-15-17-29(18-16-23)19-20-32-26-10-6-5-9-25(26)21-7-3-2-4-8-21/h2-14,23H,15-20H2,1H3
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30n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells incubated for 1 hr


Bioorg Med Chem 24: 130-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.041
BindingDB Entry DOI: 10.7270/Q2W95C1P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50134679
PNG
(CHEMBL3747003)
Show SMILES CN(C1CCN(CCOc2ccccc2-c2ccccc2)CC1)S(=O)(=O)c1cnn(C)c1
Show InChI InChI=1S/C24H30N4O3S/c1-26-19-22(18-25-26)32(29,30)27(2)21-12-14-28(15-13-21)16-17-31-24-11-7-6-10-23(24)20-8-4-3-5-9-20/h3-11,18-19,21H,12-17H2,1-2H3
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35n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-Raclopride from human dopamine D2L receptor expressed in HEK293 cells incubated for 1 hr


Bioorg Med Chem 24: 130-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.041
BindingDB Entry DOI: 10.7270/Q2W95C1P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50134685
PNG
(CHEMBL3745853)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N(CC1CC1)C1CCN(CCOc2ccccc2-c2ccccc2)CC1
Show InChI InChI=1S/C29H33FN2O3S/c30-25-12-14-27(15-13-25)36(33,34)32(22-23-10-11-23)26-16-18-31(19-17-26)20-21-35-29-9-5-4-8-28(29)24-6-2-1-3-7-24/h1-9,12-15,23,26H,10-11,16-22H2
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37n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-Raclopride from human dopamine D2L receptor expressed in HEK293 cells incubated for 1 hr


Bioorg Med Chem 24: 130-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.041
BindingDB Entry DOI: 10.7270/Q2W95C1P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50134708
PNG
(CHEMBL3746713)
Show SMILES CN(C1CCN(CCOc2ccccc2-c2ccccc2)CC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C26H30N2O3S/c1-27(32(29,30)24-12-6-3-7-13-24)23-16-18-28(19-17-23)20-21-31-26-15-9-8-14-25(26)22-10-4-2-5-11-22/h2-15,23H,16-21H2,1H3
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42n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from human 5-HT2A receptor expressed in HEK293 cells incubated for 1 hr


Bioorg Med Chem 24: 130-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.041
BindingDB Entry DOI: 10.7270/Q2W95C1P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50134688
PNG
(CHEMBL3747114)
Show SMILES CC(C)c1ccccc1OCCN1CCC(CC1)N(C)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C23H31FN2O3S/c1-18(2)22-9-4-5-10-23(22)29-16-15-26-13-11-20(12-14-26)25(3)30(27,28)21-8-6-7-19(24)17-21/h4-10,17-18,20H,11-16H2,1-3H3
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45n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-Raclopride from human dopamine D2L receptor expressed in HEK293 cells incubated for 1 hr


Bioorg Med Chem 24: 130-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.041
BindingDB Entry DOI: 10.7270/Q2W95C1P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50134690
PNG
(CHEMBL3747459)
Show SMILES CC(C)c1ccccc1OCCN1CCC(CC1)N(C)S(=O)(=O)c1cnn(C)c1
Show InChI InChI=1S/C21H32N4O3S/c1-17(2)20-7-5-6-8-21(20)28-14-13-25-11-9-18(10-12-25)24(4)29(26,27)19-15-22-23(3)16-19/h5-8,15-18H,9-14H2,1-4H3
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46n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-Raclopride from human dopamine D2L receptor expressed in HEK293 cells incubated for 1 hr


Bioorg Med Chem 24: 130-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.041
BindingDB Entry DOI: 10.7270/Q2W95C1P
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50134684
PNG
(CHEMBL3746493)
Show SMILES Cn1cc(cn1)S(=O)(=O)N(CC1CC1)C1CCN(CCOc2ccccc2C(C)(C)C)CC1
Show InChI InChI=1S/C25H38N4O3S/c1-25(2,3)23-7-5-6-8-24(23)32-16-15-28-13-11-21(12-14-28)29(18-20-9-10-20)33(30,31)22-17-26-27(4)19-22/h5-8,17,19-21H,9-16,18H2,1-4H3
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49n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7B receptor expressed in HEK293 cells incubated for 1 hr


Bioorg Med Chem 24: 130-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.041
BindingDB Entry DOI: 10.7270/Q2W95C1P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50134689
PNG
(CHEMBL3747071)
Show SMILES CC(C)c1ccccc1OCCN1CCC(CC1)N(C)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H31FN2O3S/c1-18(2)22-6-4-5-7-23(22)29-17-16-26-14-12-20(13-15-26)25(3)30(27,28)21-10-8-19(24)9-11-21/h4-11,18,20H,12-17H2,1-3H3
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50n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-Raclopride from human dopamine D2L receptor expressed in HEK293 cells incubated for 1 hr


Bioorg Med Chem 24: 130-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.041
BindingDB Entry DOI: 10.7270/Q2W95C1P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50134708
PNG
(CHEMBL3746713)
Show SMILES CN(C1CCN(CCOc2ccccc2-c2ccccc2)CC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C26H30N2O3S/c1-27(32(29,30)24-12-6-3-7-13-24)23-16-18-28(19-17-23)20-21-31-26-15-9-8-14-25(26)22-10-4-2-5-11-22/h2-15,23H,16-21H2,1H3
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52n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-Raclopride from human dopamine D2L receptor expressed in HEK293 cells incubated for 1 hr


Bioorg Med Chem 24: 130-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.041
BindingDB Entry DOI: 10.7270/Q2W95C1P
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50134683
PNG
(CHEMBL3746083)
Show SMILES CC(C)(C)c1ccccc1OCCN1CCC(CC1)N(CC1CC1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H37FN2O3S/c1-27(2,3)25-6-4-5-7-26(25)33-19-18-29-16-14-23(15-17-29)30(20-21-8-9-21)34(31,32)24-12-10-22(28)11-13-24/h4-7,10-13,21,23H,8-9,14-20H2,1-3H3
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53n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7B receptor expressed in HEK293 cells incubated for 1 hr


Bioorg Med Chem 24: 130-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.041
BindingDB Entry DOI: 10.7270/Q2W95C1P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50134678
PNG
(CHEMBL3745815)
Show SMILES CN(C1CCN(CCOc2ccccc2-c2ccccc2)CC1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C26H29FN2O3S/c1-28(33(30,31)24-13-11-22(27)12-14-24)23-15-17-29(18-16-23)19-20-32-26-10-6-5-9-25(26)21-7-3-2-4-8-21/h2-14,23H,15-20H2,1H3
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54n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-Raclopride from human dopamine D2L receptor expressed in HEK293 cells incubated for 1 hr


Bioorg Med Chem 24: 130-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.041
BindingDB Entry DOI: 10.7270/Q2W95C1P
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50134682
PNG
(CHEMBL3745882)
Show SMILES CC(C)c1ccccc1OCCN1CCC(CC1)N(CC1CC1)S(=O)(=O)c1cnn(C)c1
Show InChI InChI=1S/C24H36N4O3S/c1-19(2)23-6-4-5-7-24(23)31-15-14-27-12-10-21(11-13-27)28(17-20-8-9-20)32(29,30)22-16-25-26(3)18-22/h4-7,16,18-21H,8-15,17H2,1-3H3
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56n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7B receptor expressed in HEK293 cells incubated for 1 hr


Bioorg Med Chem 24: 130-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.041
BindingDB Entry DOI: 10.7270/Q2W95C1P
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50134680
PNG
(CHEMBL3747148)
Show SMILES CC(C)c1ccccc1OCCN1CCC(CC1)N(CC1CC1)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C26H35FN2O3S/c1-20(2)25-8-3-4-9-26(25)32-17-16-28-14-12-23(13-15-28)29(19-21-10-11-21)33(30,31)24-7-5-6-22(27)18-24/h3-9,18,20-21,23H,10-17,19H2,1-2H3
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56n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7B receptor expressed in HEK293 cells incubated for 1 hr


Bioorg Med Chem 24: 130-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.041
BindingDB Entry DOI: 10.7270/Q2W95C1P
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50134693
PNG
(CHEMBL3746079)
Show SMILES CN(C1CCN(CCOc2ccccc2C(C)(C)C)CC1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C24H33FN2O3S/c1-24(2,3)22-7-5-6-8-23(22)30-18-17-27-15-13-20(14-16-27)26(4)31(28,29)21-11-9-19(25)10-12-21/h5-12,20H,13-18H2,1-4H3
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58n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7B receptor expressed in HEK293 cells incubated for 1 hr


Bioorg Med Chem 24: 130-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.041
BindingDB Entry DOI: 10.7270/Q2W95C1P
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50134707
PNG
(CHEMBL3746771)
Show SMILES CN(C1CCN(CCOc2ccccc2C(C)(C)C)CC1)S(=O)(=O)c1cnn(C)c1
Show InChI InChI=1S/C22H34N4O3S/c1-22(2,3)20-8-6-7-9-21(20)29-15-14-26-12-10-18(11-13-26)25(5)30(27,28)19-16-23-24(4)17-19/h6-9,16-18H,10-15H2,1-5H3
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58n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7B receptor expressed in HEK293 cells incubated for 1 hr


Bioorg Med Chem 24: 130-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.041
BindingDB Entry DOI: 10.7270/Q2W95C1P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50134679
PNG
(CHEMBL3747003)
Show SMILES CN(C1CCN(CCOc2ccccc2-c2ccccc2)CC1)S(=O)(=O)c1cnn(C)c1
Show InChI InChI=1S/C24H30N4O3S/c1-26-19-22(18-25-26)32(29,30)27(2)21-12-14-28(15-13-21)16-17-31-24-11-7-6-10-23(24)20-8-4-3-5-9-20/h3-11,18-19,21H,12-17H2,1-2H3
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58n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from human 5-HT2A receptor expressed in HEK293 cells incubated for 1 hr


Bioorg Med Chem 24: 130-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.041
BindingDB Entry DOI: 10.7270/Q2W95C1P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50134687
PNG
(CHEMBL3747052)
Show SMILES CC(C)c1ccccc1OCCN1CCC(CC1)N(C)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H32N2O3S/c1-19(2)22-11-7-8-12-23(22)28-18-17-25-15-13-20(14-16-25)24(3)29(26,27)21-9-5-4-6-10-21/h4-12,19-20H,13-18H2,1-3H3
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60n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-Raclopride from human dopamine D2L receptor expressed in HEK293 cells incubated for 1 hr


Bioorg Med Chem 24: 130-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.041
BindingDB Entry DOI: 10.7270/Q2W95C1P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50134708
PNG
(CHEMBL3746713)
Show SMILES CN(C1CCN(CCOc2ccccc2-c2ccccc2)CC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C26H30N2O3S/c1-27(32(29,30)24-12-6-3-7-13-24)23-16-18-28(19-17-23)20-21-31-26-15-9-8-14-25(26)22-10-4-2-5-11-22/h2-15,23H,16-21H2,1H3
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62n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells incubated for 1 hr


Bioorg Med Chem 24: 130-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.041
BindingDB Entry DOI: 10.7270/Q2W95C1P
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50134692
PNG
(CHEMBL3745975)
Show SMILES CN(C1CCN(CCOc2ccccc2C(C)(C)C)CC1)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C24H33FN2O3S/c1-24(2,3)22-10-5-6-11-23(22)30-17-16-27-14-12-20(13-15-27)26(4)31(28,29)21-9-7-8-19(25)18-21/h5-11,18,20H,12-17H2,1-4H3
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68n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7B receptor expressed in HEK293 cells incubated for 1 hr


Bioorg Med Chem 24: 130-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.041
BindingDB Entry DOI: 10.7270/Q2W95C1P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50134678
PNG
(CHEMBL3745815)
Show SMILES CN(C1CCN(CCOc2ccccc2-c2ccccc2)CC1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C26H29FN2O3S/c1-28(33(30,31)24-13-11-22(27)12-14-24)23-15-17-29(18-16-23)19-20-32-26-10-6-5-9-25(26)21-7-3-2-4-8-21/h2-14,23H,15-20H2,1H3
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69n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from human 5-HT2A receptor expressed in HEK293 cells incubated for 1 hr


Bioorg Med Chem 24: 130-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.041
BindingDB Entry DOI: 10.7270/Q2W95C1P
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50134691
PNG
(CHEMBL3746806)
Show SMILES CN(C1CCN(CCOc2ccccc2C(C)(C)C)CC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C24H34N2O3S/c1-24(2,3)22-12-8-9-13-23(22)29-19-18-26-16-14-20(15-17-26)25(4)30(27,28)21-10-6-5-7-11-21/h5-13,20H,14-19H2,1-4H3
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70n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7B receptor expressed in HEK293 cells incubated for 1 hr


Bioorg Med Chem 24: 130-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.041
BindingDB Entry DOI: 10.7270/Q2W95C1P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50134685
PNG
(CHEMBL3745853)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N(CC1CC1)C1CCN(CCOc2ccccc2-c2ccccc2)CC1
Show InChI InChI=1S/C29H33FN2O3S/c30-25-12-14-27(15-13-25)36(33,34)32(22-23-10-11-23)26-16-18-31(19-17-26)20-21-35-29-9-5-4-8-28(29)24-6-2-1-3-7-24/h1-9,12-15,23,26H,10-11,16-22H2
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70n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from human 5-HT2A receptor expressed in HEK293 cells incubated for 1 hr


Bioorg Med Chem 24: 130-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.041
BindingDB Entry DOI: 10.7270/Q2W95C1P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50134679
PNG
(CHEMBL3747003)
Show SMILES CN(C1CCN(CCOc2ccccc2-c2ccccc2)CC1)S(=O)(=O)c1cnn(C)c1
Show InChI InChI=1S/C24H30N4O3S/c1-26-19-22(18-25-26)32(29,30)27(2)21-12-14-28(15-13-21)16-17-31-24-11-7-6-10-23(24)20-8-4-3-5-9-20/h3-11,18-19,21H,12-17H2,1-2H3
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80n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells incubated for 1 hr


Bioorg Med Chem 24: 130-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.041
BindingDB Entry DOI: 10.7270/Q2W95C1P
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50134708
PNG
(CHEMBL3746713)
Show SMILES CN(C1CCN(CCOc2ccccc2-c2ccccc2)CC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C26H30N2O3S/c1-27(32(29,30)24-12-6-3-7-13-24)23-16-18-28(19-17-23)20-21-31-26-15-9-8-14-25(26)22-10-4-2-5-11-22/h2-15,23H,16-21H2,1H3
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100n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7B receptor expressed in HEK293 cells incubated for 1 hr


Bioorg Med Chem 24: 130-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.041
BindingDB Entry DOI: 10.7270/Q2W95C1P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50134690
PNG
(CHEMBL3747459)
Show SMILES CC(C)c1ccccc1OCCN1CCC(CC1)N(C)S(=O)(=O)c1cnn(C)c1
Show InChI InChI=1S/C21H32N4O3S/c1-17(2)20-7-5-6-8-21(20)28-14-13-25-11-9-18(10-12-25)24(4)29(26,27)19-15-22-23(3)16-19/h5-8,15-18H,9-14H2,1-4H3
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121n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from human 5-HT2A receptor expressed in HEK293 cells incubated for 1 hr


Bioorg Med Chem 24: 130-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.041
BindingDB Entry DOI: 10.7270/Q2W95C1P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50134687
PNG
(CHEMBL3747052)
Show SMILES CC(C)c1ccccc1OCCN1CCC(CC1)N(C)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H32N2O3S/c1-19(2)22-11-7-8-12-23(22)28-18-17-25-15-13-20(14-16-25)24(3)29(26,27)21-9-5-4-6-10-21/h4-12,19-20H,13-18H2,1-3H3
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140n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells incubated for 1 hr


Bioorg Med Chem 24: 130-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.041
BindingDB Entry DOI: 10.7270/Q2W95C1P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50134680
PNG
(CHEMBL3747148)
Show SMILES CC(C)c1ccccc1OCCN1CCC(CC1)N(CC1CC1)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C26H35FN2O3S/c1-20(2)25-8-3-4-9-26(25)32-17-16-28-14-12-23(13-15-28)29(19-21-10-11-21)33(30,31)24-7-5-6-22(27)18-24/h3-9,18,20-21,23H,10-17,19H2,1-2H3
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158n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells incubated for 1 hr


Bioorg Med Chem 24: 130-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.041
BindingDB Entry DOI: 10.7270/Q2W95C1P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50134686
PNG
(CHEMBL3747240)
Show SMILES Cn1cc(cn1)S(=O)(=O)N(CC1CC1)C1CCN(CCOc2ccccc2-c2ccccc2)CC1
Show InChI InChI=1S/C27H34N4O3S/c1-29-21-25(19-28-29)35(32,33)31(20-22-11-12-22)24-13-15-30(16-14-24)17-18-34-27-10-6-5-9-26(27)23-7-3-2-4-8-23/h2-10,19,21-22,24H,11-18,20H2,1H3
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159n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells incubated for 1 hr


Bioorg Med Chem 24: 130-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.041
BindingDB Entry DOI: 10.7270/Q2W95C1P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50134683
PNG
(CHEMBL3746083)
Show SMILES CC(C)(C)c1ccccc1OCCN1CCC(CC1)N(CC1CC1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H37FN2O3S/c1-27(2,3)25-6-4-5-7-26(25)33-19-18-29-16-14-23(15-17-29)30(20-21-8-9-21)34(31,32)24-12-10-22(28)11-13-24/h4-7,10-13,21,23H,8-9,14-20H2,1-3H3
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160n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-Raclopride from human dopamine D2L receptor expressed in HEK293 cells incubated for 1 hr


Bioorg Med Chem 24: 130-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.041
BindingDB Entry DOI: 10.7270/Q2W95C1P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50134689
PNG
(CHEMBL3747071)
Show SMILES CC(C)c1ccccc1OCCN1CCC(CC1)N(C)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H31FN2O3S/c1-18(2)22-6-4-5-7-23(22)29-17-16-26-14-12-20(13-15-26)25(3)30(27,28)21-10-8-19(24)9-11-21/h4-11,18,20H,12-17H2,1-3H3
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180n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells incubated for 1 hr


Bioorg Med Chem 24: 130-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.041
BindingDB Entry DOI: 10.7270/Q2W95C1P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50134688
PNG
(CHEMBL3747114)
Show SMILES CC(C)c1ccccc1OCCN1CCC(CC1)N(C)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C23H31FN2O3S/c1-18(2)22-9-4-5-10-23(22)29-16-15-26-13-11-20(12-14-26)25(3)30(27,28)21-8-6-7-19(24)17-21/h4-10,17-18,20H,11-16H2,1-3H3
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190n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells incubated for 1 hr


Bioorg Med Chem 24: 130-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.041
BindingDB Entry DOI: 10.7270/Q2W95C1P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50134682
PNG
(CHEMBL3745882)
Show SMILES CC(C)c1ccccc1OCCN1CCC(CC1)N(CC1CC1)S(=O)(=O)c1cnn(C)c1
Show InChI InChI=1S/C24H36N4O3S/c1-19(2)23-6-4-5-7-24(23)31-15-14-27-12-10-21(11-13-27)28(17-20-8-9-20)32(29,30)22-16-25-26(3)18-22/h4-7,16,18-21H,8-15,17H2,1-3H3
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214n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells incubated for 1 hr


Bioorg Med Chem 24: 130-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.041
BindingDB Entry DOI: 10.7270/Q2W95C1P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50134684
PNG
(CHEMBL3746493)
Show SMILES Cn1cc(cn1)S(=O)(=O)N(CC1CC1)C1CCN(CCOc2ccccc2C(C)(C)C)CC1
Show InChI InChI=1S/C25H38N4O3S/c1-25(2,3)23-7-5-6-8-24(23)32-16-15-28-13-11-21(12-14-28)29(18-20-9-10-20)33(30,31)22-17-26-27(4)19-22/h5-8,17,19-21H,9-16,18H2,1-4H3
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230n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-Raclopride from human dopamine D2L receptor expressed in HEK293 cells incubated for 1 hr


Bioorg Med Chem 24: 130-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.041
BindingDB Entry DOI: 10.7270/Q2W95C1P
More data for this
Ligand-Target Pair
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