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Compile Data Set for Download or QSAR

Found 56 hits Enz. Inhib. hit(s) with all data for entry = 50047153   
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM35254
PNG
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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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]-Raclopride from human dopamine D2L receptor expressed in HEK293 cells


Eur J Med Chem 112: 258-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50151315
PNG
(CHEMBL3769534)
Show SMILES CCOc1ccccc1N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C25H31FN4O4/c1-3-34-22-7-5-4-6-21(22)29-14-12-28(13-15-29)16-20(31)17-30-23(32)25(2,27-24(30)33)18-8-10-19(26)11-9-18/h4-11,20,31H,3,12-17H2,1-2H3,(H,27,33)
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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-HT7 receptor expressed in HEK293 cells


Eur J Med Chem 112: 258-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50151314
PNG
(CHEMBL3770639)
Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccccc2C#N)C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C24H26FN5O3/c1-24(18-6-8-19(25)9-7-18)22(32)30(23(33)27-24)16-20(31)15-28-10-12-29(13-11-28)21-5-3-2-4-17(21)14-26/h2-9,20,31H,10-13,15-16H2,1H3,(H,27,33)
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14n/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-HT7 receptor expressed in HEK293 cells


Eur J Med Chem 112: 258-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50151313
PNG
(CHEMBL3771309)
Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2cccc(Cl)c2Cl)C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H25Cl2FN4O3/c1-23(15-5-7-16(26)8-6-15)21(32)30(22(33)27-23)14-17(31)13-28-9-11-29(12-10-28)19-4-2-3-18(24)20(19)25/h2-8,17,31H,9-14H2,1H3,(H,27,33)
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17n/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-HT7 receptor expressed in HEK293 cells


Eur J Med Chem 112: 258-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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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-HT7 receptor expressed in HEK293 cells


Eur J Med Chem 112: 258-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50001859
PNG
((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
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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]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells


Eur J Med Chem 112: 258-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50151306
PNG
(CHEMBL3769606)
Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccccc2Cl)C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H26ClFN4O3/c1-23(16-6-8-17(25)9-7-16)21(31)29(22(32)26-23)15-18(30)14-27-10-12-28(13-11-27)20-5-3-2-4-19(20)24/h2-9,18,30H,10-15H2,1H3,(H,26,32)
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47n/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-HT7 receptor expressed in HEK293 cells


Eur J Med Chem 112: 258-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50151312
PNG
(CHEMBL3769612)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C25H31FN4O3/c1-17-4-5-18(2)22(14-17)29-12-10-28(11-13-29)15-21(31)16-30-23(32)25(3,27-24(30)33)19-6-8-20(26)9-7-19/h4-9,14,21,31H,10-13,15-16H2,1-3H3,(H,27,33)
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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-HT7 receptor expressed in HEK293 cells


Eur J Med Chem 112: 258-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50151313
PNG
(CHEMBL3771309)
Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2cccc(Cl)c2Cl)C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H25Cl2FN4O3/c1-23(15-5-7-16(26)8-6-15)21(32)30(22(33)27-23)14-17(31)13-28-9-11-29(12-10-28)19-4-2-3-18(24)20(19)25/h2-8,17,31H,9-14H2,1H3,(H,27,33)
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59n/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


Eur J Med Chem 112: 258-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50151301
PNG
(CHEMBL3771222)
Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)C(c2ccccc2)c2ccccc2)C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C30H33FN4O3/c1-30(24-12-14-25(31)15-13-24)28(37)35(29(38)32-30)21-26(36)20-33-16-18-34(19-17-33)27(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,26-27,36H,16-21H2,1H3,(H,32,38)
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79n/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-HT7 receptor expressed in HEK293 cells


Eur J Med Chem 112: 258-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50151308
PNG
(CHEMBL3769441)
Show SMILES COc1cccc(c1)N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C24H29FN4O4/c1-24(17-6-8-18(25)9-7-17)22(31)29(23(32)26-24)16-20(30)15-27-10-12-28(13-11-27)19-4-3-5-21(14-19)33-2/h3-9,14,20,30H,10-13,15-16H2,1-2H3,(H,26,32)
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89n/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-HT7 receptor expressed in HEK293 cells


Eur J Med Chem 112: 258-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50151315
PNG
(CHEMBL3769534)
Show SMILES CCOc1ccccc1N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C25H31FN4O4/c1-3-34-22-7-5-4-6-21(22)29-14-12-28(13-15-29)16-20(31)17-30-23(32)25(2,27-24(30)33)18-8-10-19(26)11-9-18/h4-11,20,31H,3,12-17H2,1-2H3,(H,27,33)
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98n/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


Eur J Med Chem 112: 258-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50151315
PNG
(CHEMBL3769534)
Show SMILES CCOc1ccccc1N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C25H31FN4O4/c1-3-34-22-7-5-4-6-21(22)29-14-12-28(13-15-29)16-20(31)17-30-23(32)25(2,27-24(30)33)18-8-10-19(26)11-9-18/h4-11,20,31H,3,12-17H2,1-2H3,(H,27,33)
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127n/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


Eur J Med Chem 112: 258-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50151303
PNG
(CHEMBL3770581)
Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccc(Cl)c(Cl)c2)C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H25Cl2FN4O3/c1-23(15-2-4-16(26)5-3-15)21(32)30(22(33)27-23)14-18(31)13-28-8-10-29(11-9-28)17-6-7-19(24)20(25)12-17/h2-7,12,18,31H,8-11,13-14H2,1H3,(H,27,33)
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141n/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-HT7 receptor expressed in HEK293 cells


Eur J Med Chem 112: 258-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50151302
PNG
(CHEMBL3770110)
Show SMILES Cc1ccc(cc1C)N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C25H31FN4O3/c1-17-4-9-21(14-18(17)2)29-12-10-28(11-13-29)15-22(31)16-30-23(32)25(3,27-24(30)33)19-5-7-20(26)8-6-19/h4-9,14,22,31H,10-13,15-16H2,1-3H3,(H,27,33)
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177n/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-HT7 receptor expressed in HEK293 cells


Eur J Med Chem 112: 258-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50151309
PNG
(CHEMBL3769836)
Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccccc2)C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H27FN4O3/c1-23(17-7-9-18(24)10-8-17)21(30)28(22(31)25-23)16-20(29)15-26-11-13-27(14-12-26)19-5-3-2-4-6-19/h2-10,20,29H,11-16H2,1H3,(H,25,31)
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223n/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-HT7 receptor expressed in HEK293 cells


Eur J Med Chem 112: 258-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50151307
PNG
(CHEMBL3770473)
Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccccc2F)C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H26F2N4O3/c1-23(16-6-8-17(24)9-7-16)21(31)29(22(32)26-23)15-18(30)14-27-10-12-28(13-11-27)20-5-3-2-4-19(20)25/h2-9,18,30H,10-15H2,1H3,(H,26,32)
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234n/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-HT7 receptor expressed in HEK293 cells


Eur J Med Chem 112: 258-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50151301
PNG
(CHEMBL3771222)
Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)C(c2ccccc2)c2ccccc2)C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C30H33FN4O3/c1-30(24-12-14-25(31)15-13-24)28(37)35(29(38)32-30)21-26(36)20-33-16-18-34(19-17-33)27(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,26-27,36H,16-21H2,1H3,(H,32,38)
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261n/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


Eur J Med Chem 112: 258-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50151313
PNG
(CHEMBL3771309)
Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2cccc(Cl)c2Cl)C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H25Cl2FN4O3/c1-23(15-5-7-16(26)8-6-15)21(32)30(22(33)27-23)14-17(31)13-28-9-11-29(12-10-28)19-4-2-3-18(24)20(19)25/h2-8,17,31H,9-14H2,1H3,(H,27,33)
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302n/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


Eur J Med Chem 112: 258-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50151314
PNG
(CHEMBL3770639)
Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccccc2C#N)C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C24H26FN5O3/c1-24(18-6-8-19(25)9-7-18)22(32)30(23(33)27-24)16-20(31)15-28-10-12-29(13-11-28)21-5-3-2-4-17(21)14-26/h2-9,20,31H,10-13,15-16H2,1H3,(H,27,33)
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319n/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


Eur J Med Chem 112: 258-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50151306
PNG
(CHEMBL3769606)
Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccccc2Cl)C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H26ClFN4O3/c1-23(16-6-8-17(25)9-7-16)21(31)29(22(32)26-23)15-18(30)14-27-10-12-28(13-11-27)20-5-3-2-4-19(20)24/h2-9,18,30H,10-15H2,1H3,(H,26,32)
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397n/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


Eur J Med Chem 112: 258-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50151310
PNG
(CHEMBL3302600)
Show SMILES COc1ccccc1N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C24H29FN4O4/c1-24(17-7-9-18(25)10-8-17)22(31)29(23(32)26-24)16-19(30)15-27-11-13-28(14-12-27)20-5-3-4-6-21(20)33-2/h3-10,19,30H,11-16H2,1-2H3,(H,26,32)
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715n/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


Eur J Med Chem 112: 258-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50151303
PNG
(CHEMBL3770581)
Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccc(Cl)c(Cl)c2)C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H25Cl2FN4O3/c1-23(15-2-4-16(26)5-3-15)21(32)30(22(33)27-23)14-18(31)13-28-8-10-29(11-9-28)17-6-7-19(24)20(25)12-17/h2-7,12,18,31H,8-11,13-14H2,1H3,(H,27,33)
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821n/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


Eur J Med Chem 112: 258-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50151311
PNG
(CHEMBL3770293)
Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccc(F)cc2)C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H26F2N4O3/c1-23(16-2-4-17(24)5-3-16)21(31)29(22(32)26-23)15-20(30)14-27-10-12-28(13-11-27)19-8-6-18(25)7-9-19/h2-9,20,30H,10-15H2,1H3,(H,26,32)
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837n/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-HT7 receptor expressed in HEK293 cells


Eur J Med Chem 112: 258-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50151306
PNG
(CHEMBL3769606)
Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccccc2Cl)C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H26ClFN4O3/c1-23(16-6-8-17(25)9-7-16)21(31)29(22(32)26-23)15-18(30)14-27-10-12-28(13-11-27)20-5-3-2-4-19(20)24/h2-9,18,30H,10-15H2,1H3,(H,26,32)
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839n/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


Eur J Med Chem 112: 258-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50151305
PNG
(CHEMBL3770522)
Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccc(Cl)cc2)C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H26ClFN4O3/c1-23(16-2-6-18(25)7-3-16)21(31)29(22(32)26-23)15-20(30)14-27-10-12-28(13-11-27)19-8-4-17(24)5-9-19/h2-9,20,30H,10-15H2,1H3,(H,26,32)
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908n/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-HT7 receptor expressed in HEK293 cells


Eur J Med Chem 112: 258-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50151314
PNG
(CHEMBL3770639)
Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccccc2C#N)C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C24H26FN5O3/c1-24(18-6-8-19(25)9-7-18)22(32)30(23(33)27-24)16-20(31)15-28-10-12-29(13-11-28)21-5-3-2-4-17(21)14-26/h2-9,20,31H,10-13,15-16H2,1H3,(H,27,33)
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931n/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


Eur J Med Chem 112: 258-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50151302
PNG
(CHEMBL3770110)
Show SMILES Cc1ccc(cc1C)N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C25H31FN4O3/c1-17-4-9-21(14-18(17)2)29-12-10-28(11-13-29)15-22(31)16-30-23(32)25(3,27-24(30)33)19-5-7-20(26)8-6-19/h4-9,14,22,31H,10-13,15-16H2,1-3H3,(H,27,33)
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1.00E+3n/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


Eur J Med Chem 112: 258-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50151304
PNG
(CHEMBL3769536)
Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccc(F)cc2F)C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H25F3N4O3/c1-23(15-2-4-16(24)5-3-15)21(32)30(22(33)27-23)14-18(31)13-28-8-10-29(11-9-28)20-7-6-17(25)12-19(20)26/h2-7,12,18,31H,8-11,13-14H2,1H3,(H,27,33)
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1.19E+3n/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-HT7 receptor expressed in HEK293 cells


Eur J Med Chem 112: 258-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50151312
PNG
(CHEMBL3769612)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C25H31FN4O3/c1-17-4-5-18(2)22(14-17)29-12-10-28(11-13-29)15-21(31)16-30-23(32)25(3,27-24(30)33)19-6-8-20(26)9-7-19/h4-9,14,21,31H,10-13,15-16H2,1-3H3,(H,27,33)
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1.30E+3n/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


Eur J Med Chem 112: 258-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50151307
PNG
(CHEMBL3770473)
Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccccc2F)C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H26F2N4O3/c1-23(16-6-8-17(24)9-7-16)21(31)29(22(32)26-23)15-18(30)14-27-10-12-28(13-11-27)20-5-3-2-4-19(20)25/h2-9,18,30H,10-15H2,1H3,(H,26,32)
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1.65E+3n/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


Eur J Med Chem 112: 258-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50151307
PNG
(CHEMBL3770473)
Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccccc2F)C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H26F2N4O3/c1-23(16-6-8-17(24)9-7-16)21(31)29(22(32)26-23)15-18(30)14-27-10-12-28(13-11-27)20-5-3-2-4-19(20)25/h2-9,18,30H,10-15H2,1H3,(H,26,32)
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1.71E+3n/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


Eur J Med Chem 112: 258-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50151312
PNG
(CHEMBL3769612)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C25H31FN4O3/c1-17-4-5-18(2)22(14-17)29-12-10-28(11-13-29)15-21(31)16-30-23(32)25(3,27-24(30)33)19-6-8-20(26)9-7-19/h4-9,14,21,31H,10-13,15-16H2,1-3H3,(H,27,33)
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1.81E+3n/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


Eur J Med Chem 112: 258-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50151303
PNG
(CHEMBL3770581)
Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccc(Cl)c(Cl)c2)C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H25Cl2FN4O3/c1-23(15-2-4-16(26)5-3-15)21(32)30(22(33)27-23)14-18(31)13-28-8-10-29(11-9-28)17-6-7-19(24)20(25)12-17/h2-7,12,18,31H,8-11,13-14H2,1H3,(H,27,33)
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1.98E+3n/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


Eur J Med Chem 112: 258-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50151302
PNG
(CHEMBL3770110)
Show SMILES Cc1ccc(cc1C)N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C25H31FN4O3/c1-17-4-9-21(14-18(17)2)29-12-10-28(11-13-29)15-22(31)16-30-23(32)25(3,27-24(30)33)19-5-7-20(26)8-6-19/h4-9,14,22,31H,10-13,15-16H2,1-3H3,(H,27,33)
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2.26E+3n/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


Eur J Med Chem 112: 258-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50151309
PNG
(CHEMBL3769836)
Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccccc2)C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H27FN4O3/c1-23(17-7-9-18(24)10-8-17)21(30)28(22(31)25-23)16-20(29)15-26-11-13-27(14-12-26)19-5-3-2-4-6-19/h2-10,20,29H,11-16H2,1H3,(H,25,31)
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2.73E+3n/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


Eur J Med Chem 112: 258-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50151309
PNG
(CHEMBL3769836)
Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccccc2)C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H27FN4O3/c1-23(17-7-9-18(24)10-8-17)21(30)28(22(31)25-23)16-20(29)15-26-11-13-27(14-12-26)19-5-3-2-4-6-19/h2-10,20,29H,11-16H2,1H3,(H,25,31)
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2.91E+3n/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


Eur J Med Chem 112: 258-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50151308
PNG
(CHEMBL3769441)
Show SMILES COc1cccc(c1)N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C24H29FN4O4/c1-24(17-6-8-18(25)9-7-17)22(31)29(23(32)26-24)16-20(30)15-27-10-12-28(13-11-27)19-4-3-5-21(14-19)33-2/h3-9,14,20,30H,10-13,15-16H2,1-2H3,(H,26,32)
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2.97E+3n/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


Eur J Med Chem 112: 258-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50151305
PNG
(CHEMBL3770522)
Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccc(Cl)cc2)C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H26ClFN4O3/c1-23(16-2-6-18(25)7-3-16)21(31)29(22(32)26-23)15-20(30)14-27-10-12-28(13-11-27)19-8-4-17(24)5-9-19/h2-9,20,30H,10-15H2,1H3,(H,26,32)
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4.26E+3n/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


Eur J Med Chem 112: 258-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50151308
PNG
(CHEMBL3769441)
Show SMILES COc1cccc(c1)N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C24H29FN4O4/c1-24(17-6-8-18(25)9-7-17)22(31)29(23(32)26-24)16-20(30)15-27-10-12-28(13-11-27)19-4-3-5-21(14-19)33-2/h3-9,14,20,30H,10-13,15-16H2,1-2H3,(H,26,32)
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5.19E+3n/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


Eur J Med Chem 112: 258-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50151305
PNG
(CHEMBL3770522)
Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccc(Cl)cc2)C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H26ClFN4O3/c1-23(16-2-6-18(25)7-3-16)21(31)29(22(32)26-23)15-20(30)14-27-10-12-28(13-11-27)19-8-4-17(24)5-9-19/h2-9,20,30H,10-15H2,1H3,(H,26,32)
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5.30E+3n/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


Eur J Med Chem 112: 258-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50151301
PNG
(CHEMBL3771222)
Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)C(c2ccccc2)c2ccccc2)C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C30H33FN4O3/c1-30(24-12-14-25(31)15-13-24)28(37)35(29(38)32-30)21-26(36)20-33-16-18-34(19-17-33)27(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,26-27,36H,16-21H2,1H3,(H,32,38)
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5.57E+3n/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


Eur J Med Chem 112: 258-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50151311
PNG
(CHEMBL3770293)
Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccc(F)cc2)C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H26F2N4O3/c1-23(16-2-4-17(24)5-3-16)21(31)29(22(32)26-23)15-20(30)14-27-10-12-28(13-11-27)19-8-6-18(25)7-9-19/h2-9,20,30H,10-15H2,1H3,(H,26,32)
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5.64E+3n/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


Eur J Med Chem 112: 258-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50151304
PNG
(CHEMBL3769536)
Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccc(F)cc2F)C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H25F3N4O3/c1-23(15-2-4-16(24)5-3-15)21(32)30(22(33)27-23)14-18(31)13-28-8-10-29(11-9-28)20-7-6-17(25)12-19(20)26/h2-7,12,18,31H,8-11,13-14H2,1H3,(H,27,33)
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6.79E+3n/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


Eur J Med Chem 112: 258-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50151311
PNG
(CHEMBL3770293)
Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccc(F)cc2)C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H26F2N4O3/c1-23(16-2-4-17(24)5-3-16)21(31)29(22(32)26-23)15-20(30)14-27-10-12-28(13-11-27)19-8-6-18(25)7-9-19/h2-9,20,30H,10-15H2,1H3,(H,26,32)
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6.86E+3n/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


Eur J Med Chem 112: 258-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50151304
PNG
(CHEMBL3769536)
Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccc(F)cc2F)C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H25F3N4O3/c1-23(15-2-4-16(24)5-3-15)21(32)30(22(33)27-23)14-18(31)13-28-8-10-29(11-9-28)20-7-6-17(25)12-19(20)26/h2-7,12,18,31H,8-11,13-14H2,1H3,(H,27,33)
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9.17E+3n/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


Eur J Med Chem 112: 258-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50
More data for this
Ligand-Target Pair
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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n/an/a 21n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at human 5-HT7 receptor expressed in HEK293 cells assessed as inhibition of 5-CT-induced cAMP production preincubated for 15 mins...


Eur J Med Chem 112: 258-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50151315
PNG
(CHEMBL3769534)
Show SMILES CCOc1ccccc1N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C25H31FN4O4/c1-3-34-22-7-5-4-6-21(22)29-14-12-28(13-15-29)16-20(31)17-30-23(32)25(2,27-24(30)33)18-8-10-19(26)11-9-18/h4-11,20,31H,3,12-17H2,1-2H3,(H,27,33)
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n/an/a 81n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at human 5-HT7 receptor expressed in HEK293 cells assessed as inhibition of 5-CT-induced cAMP production preincubated for 15 mins...


Eur J Med Chem 112: 258-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM8610
PNG
(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@H]2CO[C@@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1
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n/an/a 140n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP3A4 by luminescence -based microplate reader assay


Eur J Med Chem 112: 258-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50151314
PNG
(CHEMBL3770639)
Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccccc2C#N)C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C24H26FN5O3/c1-24(18-6-8-19(25)9-7-18)22(32)30(23(33)27-24)16-20(31)15-28-10-12-29(13-11-28)21-5-3-2-4-17(21)14-26/h2-9,20,31H,10-13,15-16H2,1H3,(H,27,33)
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n/an/a 343n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at human 5-HT7 receptor expressed in HEK293 cells assessed as inhibition of 5-CT-induced cAMP production preincubated for 15 mins...


Eur J Med Chem 112: 258-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50
More data for this
Ligand-Target Pair
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