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PubMed code 27717652

Compile Data Set for Download or QSAR

Found 275 hits of Enzyme Inhibition Constant Data   
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))
BDBM50199141
PNG
(CHEMBL3898250)
Show SMILES Cl.Clc1ccc2C(=O)C(CCN3CCc4ccccc4C3)Cc2c1
Show InChI InChI=1S/C20H20ClNO.ClH/c21-18-5-6-19-17(12-18)11-15(20(19)23)8-10-22-9-7-14-3-1-2-4-16(14)13-22;/h1-6,12,15H,7-11,13H2;1H
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0.468n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT7 receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50199141
PNG
(CHEMBL3898250)
Show SMILES Cl.Clc1ccc2C(=O)C(CCN3CCc4ccccc4C3)Cc2c1
Show InChI InChI=1S/C20H20ClNO.ClH/c21-18-5-6-19-17(12-18)11-15(20(19)23)8-10-22-9-7-14-3-1-2-4-16(14)13-22;/h1-6,12,15H,7-11,13H2;1H
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0.5n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT7 receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50098551
PNG
((R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolid...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1
Show InChI InChI=1S/C18H28N2O3S/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18/h2,5-6,14-16,21H,3-4,7-13H2,1H3/t16-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7a receptor expressed in HEK293 cells


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50098551
PNG
((R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolid...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1
Show InChI InChI=1S/C18H28N2O3S/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18/h2,5-6,14-16,21H,3-4,7-13H2,1H3/t16-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7a receptor expressed in HEK293 cells


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50199127
PNG
(CHEMBL3958215)
Show SMILES Fc1ccc2C(=O)C(CCN3CCc4ccccc4C3)Cc2c1
Show InChI InChI=1S/C20H20FNO/c21-18-5-6-19-17(12-18)11-15(20(19)23)8-10-22-9-7-14-3-1-2-4-16(14)13-22/h1-6,12,15H,7-11,13H2
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1.60n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT7 receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50199127
PNG
(CHEMBL3958215)
Show SMILES Fc1ccc2C(=O)C(CCN3CCc4ccccc4C3)Cc2c1
Show InChI InChI=1S/C20H20FNO/c21-18-5-6-19-17(12-18)11-15(20(19)23)8-10-22-9-7-14-3-1-2-4-16(14)13-22/h1-6,12,15H,7-11,13H2
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1.60n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT7 receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50098551
PNG
((R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolid...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1
Show InChI InChI=1S/C18H28N2O3S/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18/h2,5-6,14-16,21H,3-4,7-13H2,1H3/t16-/m1/s1
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<5n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


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


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50098551
PNG
((R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolid...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1
Show InChI InChI=1S/C18H28N2O3S/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18/h2,5-6,14-16,21H,3-4,7-13H2,1H3/t16-/m1/s1
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5n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT from human 5-HT2B receptor expressed in HEK293 cells


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50098551
PNG
((R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolid...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1
Show InChI InChI=1S/C18H28N2O3S/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18/h2,5-6,14-16,21H,3-4,7-13H2,1H3/t16-/m1/s1
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<5n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from human 5-HT2C receptor expressed in HEK293 cells


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50098551
PNG
((R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolid...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1
Show InChI InChI=1S/C18H28N2O3S/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18/h2,5-6,14-16,21H,3-4,7-13H2,1H3/t16-/m1/s1
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<5n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


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


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50199137
PNG
(CHEMBL3908870)
Show SMILES CC1(C)CC(=O)N(CCCCN2Cc3ccccc3C2)C(=O)C1
Show InChI InChI=1S/C19H26N2O2/c1-19(2)11-17(22)21(18(23)12-19)10-6-5-9-20-13-15-7-3-4-8-16(15)14-20/h3-4,7-8H,5-6,9-14H2,1-2H3
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6.30n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT7 receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50199132
PNG
(CHEMBL3959919)
Show SMILES Cl.COc1cc2CCN(CCCCc3nc4cc(Cl)ccc4s3)Cc2cc1OC
Show InChI InChI=1S/C22H25ClN2O2S.ClH/c1-26-19-11-15-8-10-25(14-16(15)12-20(19)27-2)9-4-3-5-22-24-18-13-17(23)6-7-21(18)28-22;/h6-7,11-13H,3-5,8-10,14H2,1-2H3;1H
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7n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT2B receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50199132
PNG
(CHEMBL3959919)
Show SMILES Cl.COc1cc2CCN(CCCCc3nc4cc(Cl)ccc4s3)Cc2cc1OC
Show InChI InChI=1S/C22H25ClN2O2S.ClH/c1-26-19-11-15-8-10-25(14-16(15)12-20(19)27-2)9-4-3-5-22-24-18-13-17(23)6-7-21(18)28-22;/h6-7,11-13H,3-5,8-10,14H2,1-2H3;1H
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7.10n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT2B receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50199132
PNG
(CHEMBL3959919)
Show SMILES Cl.COc1cc2CCN(CCCCc3nc4cc(Cl)ccc4s3)Cc2cc1OC
Show InChI InChI=1S/C22H25ClN2O2S.ClH/c1-26-19-11-15-8-10-25(14-16(15)12-20(19)27-2)9-4-3-5-22-24-18-13-17(23)6-7-21(18)28-22;/h6-7,11-13H,3-5,8-10,14H2,1-2H3;1H
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9.90n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50199132
PNG
(CHEMBL3959919)
Show SMILES Cl.COc1cc2CCN(CCCCc3nc4cc(Cl)ccc4s3)Cc2cc1OC
Show InChI InChI=1S/C22H25ClN2O2S.ClH/c1-26-19-11-15-8-10-25(14-16(15)12-20(19)27-2)9-4-3-5-22-24-18-13-17(23)6-7-21(18)28-22;/h6-7,11-13H,3-5,8-10,14H2,1-2H3;1H
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10n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50199139
PNG
(CHEMBL3941795)
Show SMILES Cl.Clc1ccc2sc(CCCCN3CCC4CCCCC4C3)nc2c1
Show InChI InChI=1S/C20H27ClN2S.ClH/c21-17-8-9-19-18(13-17)22-20(24-19)7-3-4-11-23-12-10-15-5-1-2-6-16(15)14-23;/h8-9,13,15-16H,1-7,10-12,14H2;1H
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11n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50199139
PNG
(CHEMBL3941795)
Show SMILES Cl.Clc1ccc2sc(CCCCN3CCC4CCCCC4C3)nc2c1
Show InChI InChI=1S/C20H27ClN2S.ClH/c21-17-8-9-19-18(13-17)22-20(24-19)7-3-4-11-23-12-10-15-5-1-2-6-16(15)14-23;/h8-9,13,15-16H,1-7,10-12,14H2;1H
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12n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50199136
PNG
(CHEMBL3970299)
Show SMILES Cl.Clc1ccc2sc(CCCCN3CCc4ccccc4C3)nc2c1
Show InChI InChI=1S/C20H21ClN2S.ClH/c21-17-8-9-19-18(13-17)22-20(24-19)7-3-4-11-23-12-10-15-5-1-2-6-16(15)14-23;/h1-2,5-6,8-9,13H,3-4,7,10-12,14H2;1H
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14n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50199141
PNG
(CHEMBL3898250)
Show SMILES Cl.Clc1ccc2C(=O)C(CCN3CCc4ccccc4C3)Cc2c1
Show InChI InChI=1S/C20H20ClNO.ClH/c21-18-5-6-19-17(12-18)11-15(20(19)23)8-10-22-9-7-14-3-1-2-4-16(14)13-22;/h1-6,12,15H,7-11,13H2;1H
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15n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50199136
PNG
(CHEMBL3970299)
Show SMILES Cl.Clc1ccc2sc(CCCCN3CCc4ccccc4C3)nc2c1
Show InChI InChI=1S/C20H21ClN2S.ClH/c21-17-8-9-19-18(13-17)22-20(24-19)7-3-4-11-23-12-10-15-5-1-2-6-16(15)14-23;/h1-2,5-6,8-9,13H,3-4,7,10-12,14H2;1H
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15n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50199136
PNG
(CHEMBL3970299)
Show SMILES Cl.Clc1ccc2sc(CCCCN3CCc4ccccc4C3)nc2c1
Show InChI InChI=1S/C20H21ClN2S.ClH/c21-17-8-9-19-18(13-17)22-20(24-19)7-3-4-11-23-12-10-15-5-1-2-6-16(15)14-23;/h1-2,5-6,8-9,13H,3-4,7,10-12,14H2;1H
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15n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT2B receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50199141
PNG
(CHEMBL3898250)
Show SMILES Cl.Clc1ccc2C(=O)C(CCN3CCc4ccccc4C3)Cc2c1
Show InChI InChI=1S/C20H20ClNO.ClH/c21-18-5-6-19-17(12-18)11-15(20(19)23)8-10-22-9-7-14-3-1-2-4-16(14)13-22;/h1-6,12,15H,7-11,13H2;1H
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16n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50199136
PNG
(CHEMBL3970299)
Show SMILES Cl.Clc1ccc2sc(CCCCN3CCc4ccccc4C3)nc2c1
Show InChI InChI=1S/C20H21ClN2S.ClH/c21-17-8-9-19-18(13-17)22-20(24-19)7-3-4-11-23-12-10-15-5-1-2-6-16(15)14-23;/h1-2,5-6,8-9,13H,3-4,7,10-12,14H2;1H
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16n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT2B receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50199131
PNG
(CHEMBL3890153)
Show SMILES Br.C(CN1CCc2ccccc2C1)Cc1nc2ccccc2s1
Show InChI InChI=1S/C19H20N2S.BrH/c1-2-7-16-14-21(13-11-15(16)6-1)12-5-10-19-20-17-8-3-4-9-18(17)22-19;/h1-4,6-9H,5,10-14H2;1H
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18n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT2B receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50199131
PNG
(CHEMBL3890153)
Show SMILES Br.C(CN1CCc2ccccc2C1)Cc1nc2ccccc2s1
Show InChI InChI=1S/C19H20N2S.BrH/c1-2-7-16-14-21(13-11-15(16)6-1)12-5-10-19-20-17-8-3-4-9-18(17)22-19;/h1-4,6-9H,5,10-14H2;1H
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18n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT2B receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50199127
PNG
(CHEMBL3958215)
Show SMILES Fc1ccc2C(=O)C(CCN3CCc4ccccc4C3)Cc2c1
Show InChI InChI=1S/C20H20FNO/c21-18-5-6-19-17(12-18)11-15(20(19)23)8-10-22-9-7-14-3-1-2-4-16(14)13-22/h1-6,12,15H,7-11,13H2
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19n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50199127
PNG
(CHEMBL3958215)
Show SMILES Fc1ccc2C(=O)C(CCN3CCc4ccccc4C3)Cc2c1
Show InChI InChI=1S/C20H20FNO/c21-18-5-6-19-17(12-18)11-15(20(19)23)8-10-22-9-7-14-3-1-2-4-16(14)13-22/h1-6,12,15H,7-11,13H2
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19n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50199126
PNG
(CHEMBL3978642)
Show SMILES Cl.O=C1C(CCN2CCc3ccccc3C2)Cc2ccccc12
Show InChI InChI=1S/C20H21NO.ClH/c22-20-17(13-16-6-3-4-8-19(16)20)10-12-21-11-9-15-5-1-2-7-18(15)14-21;/h1-8,17H,9-14H2;1H
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24n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-pyrilamine from human histamine H1 receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50199136
PNG
(CHEMBL3970299)
Show SMILES Cl.Clc1ccc2sc(CCCCN3CCc4ccccc4C3)nc2c1
Show InChI InChI=1S/C20H21ClN2S.ClH/c21-17-8-9-19-18(13-17)22-20(24-19)7-3-4-11-23-12-10-15-5-1-2-6-16(15)14-23;/h1-2,5-6,8-9,13H,3-4,7,10-12,14H2;1H
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25n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT7 receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50199136
PNG
(CHEMBL3970299)
Show SMILES Cl.Clc1ccc2sc(CCCCN3CCc4ccccc4C3)nc2c1
Show InChI InChI=1S/C20H21ClN2S.ClH/c21-17-8-9-19-18(13-17)22-20(24-19)7-3-4-11-23-12-10-15-5-1-2-6-16(15)14-23;/h1-2,5-6,8-9,13H,3-4,7,10-12,14H2;1H
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25n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT7 receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50199126
PNG
(CHEMBL3978642)
Show SMILES Cl.O=C1C(CCN2CCc3ccccc3C2)Cc2ccccc12
Show InChI InChI=1S/C20H21NO.ClH/c22-20-17(13-16-6-3-4-8-19(16)20)10-12-21-11-9-15-5-1-2-7-18(15)14-21;/h1-8,17H,9-14H2;1H
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25n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-pyrilamine from human histamine H1 receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50199135
PNG
(CHEMBL3899099)
Show SMILES Cl.Clc1cccc2CCN(CCCCc3nc4ccccc4s3)Cc12
Show InChI InChI=1S/C20H21ClN2S.ClH/c21-17-7-5-6-15-11-13-23(14-16(15)17)12-4-3-10-20-22-18-8-1-2-9-19(18)24-20;/h1-2,5-9H,3-4,10-14H2;1H
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29n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50199135
PNG
(CHEMBL3899099)
Show SMILES Cl.Clc1cccc2CCN(CCCCc3nc4ccccc4s3)Cc12
Show InChI InChI=1S/C20H21ClN2S.ClH/c21-17-7-5-6-15-11-13-23(14-16(15)17)12-4-3-10-20-22-18-8-1-2-9-19(18)24-20;/h1-2,5-9H,3-4,10-14H2;1H
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30n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50199135
PNG
(CHEMBL3899099)
Show SMILES Cl.Clc1cccc2CCN(CCCCc3nc4ccccc4s3)Cc12
Show InChI InChI=1S/C20H21ClN2S.ClH/c21-17-7-5-6-15-11-13-23(14-16(15)17)12-4-3-10-20-22-18-8-1-2-9-19(18)24-20;/h1-2,5-9H,3-4,10-14H2;1H
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30n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50199135
PNG
(CHEMBL3899099)
Show SMILES Cl.Clc1cccc2CCN(CCCCc3nc4ccccc4s3)Cc12
Show InChI InChI=1S/C20H21ClN2S.ClH/c21-17-7-5-6-15-11-13-23(14-16(15)17)12-4-3-10-20-22-18-8-1-2-9-19(18)24-20;/h1-2,5-9H,3-4,10-14H2;1H
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31n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50199139
PNG
(CHEMBL3941795)
Show SMILES Cl.Clc1ccc2sc(CCCCN3CCC4CCCCC4C3)nc2c1
Show InChI InChI=1S/C20H27ClN2S.ClH/c21-17-8-9-19-18(13-17)22-20(24-19)7-3-4-11-23-12-10-15-5-1-2-6-16(15)14-23;/h8-9,13,15-16H,1-7,10-12,14H2;1H
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37n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from rat dopamine D4 receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50199131
PNG
(CHEMBL3890153)
Show SMILES Br.C(CN1CCc2ccccc2C1)Cc1nc2ccccc2s1
Show InChI InChI=1S/C19H20N2S.BrH/c1-2-7-16-14-21(13-11-15(16)6-1)12-5-10-19-20-17-8-3-4-9-18(17)22-19;/h1-4,6-9H,5,10-14H2;1H
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37n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT7 receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50199139
PNG
(CHEMBL3941795)
Show SMILES Cl.Clc1ccc2sc(CCCCN3CCC4CCCCC4C3)nc2c1
Show InChI InChI=1S/C20H27ClN2S.ClH/c21-17-8-9-19-18(13-17)22-20(24-19)7-3-4-11-23-12-10-15-5-1-2-6-16(15)14-23;/h8-9,13,15-16H,1-7,10-12,14H2;1H
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37n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from rat dopamine D4 receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50199131
PNG
(CHEMBL3890153)
Show SMILES Br.C(CN1CCc2ccccc2C1)Cc1nc2ccccc2s1
Show InChI InChI=1S/C19H20N2S.BrH/c1-2-7-16-14-21(13-11-15(16)6-1)12-5-10-19-20-17-8-3-4-9-18(17)22-19;/h1-4,6-9H,5,10-14H2;1H
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37n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT7 receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50199131
PNG
(CHEMBL3890153)
Show SMILES Br.C(CN1CCc2ccccc2C1)Cc1nc2ccccc2s1
Show InChI InChI=1S/C19H20N2S.BrH/c1-2-7-16-14-21(13-11-15(16)6-1)12-5-10-19-20-17-8-3-4-9-18(17)22-19;/h1-4,6-9H,5,10-14H2;1H
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41n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from rat dopamine D4 receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50199131
PNG
(CHEMBL3890153)
Show SMILES Br.C(CN1CCc2ccccc2C1)Cc1nc2ccccc2s1
Show InChI InChI=1S/C19H20N2S.BrH/c1-2-7-16-14-21(13-11-15(16)6-1)12-5-10-19-20-17-8-3-4-9-18(17)22-19;/h1-4,6-9H,5,10-14H2;1H
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41n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from rat dopamine D4 receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50199129
PNG
(CHEMBL3971383)
Show SMILES Cl.Clc1ccc2sc(CCCCN3CCc4c(Cl)cccc4C3)nc2c1
Show InChI InChI=1S/C20H20Cl2N2S.ClH/c21-15-7-8-19-18(12-15)23-20(25-19)6-1-2-10-24-11-9-16-14(13-24)4-3-5-17(16)22;/h3-5,7-8,12H,1-2,6,9-11,13H2;1H
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42n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50199129
PNG
(CHEMBL3971383)
Show SMILES Cl.Clc1ccc2sc(CCCCN3CCc4c(Cl)cccc4C3)nc2c1
Show InChI InChI=1S/C20H20Cl2N2S.ClH/c21-15-7-8-19-18(12-15)23-20(25-19)6-1-2-10-24-11-9-16-14(13-24)4-3-5-17(16)22;/h3-5,7-8,12H,1-2,6,9-11,13H2;1H
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42n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50199139
PNG
(CHEMBL3941795)
Show SMILES Cl.Clc1ccc2sc(CCCCN3CCC4CCCCC4C3)nc2c1
Show InChI InChI=1S/C20H27ClN2S.ClH/c21-17-8-9-19-18(13-17)22-20(24-19)7-3-4-11-23-12-10-15-5-1-2-6-16(15)14-23;/h8-9,13,15-16H,1-7,10-12,14H2;1H
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44n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT7 receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50199139
PNG
(CHEMBL3941795)
Show SMILES Cl.Clc1ccc2sc(CCCCN3CCC4CCCCC4C3)nc2c1
Show InChI InChI=1S/C20H27ClN2S.ClH/c21-17-8-9-19-18(13-17)22-20(24-19)7-3-4-11-23-12-10-15-5-1-2-6-16(15)14-23;/h8-9,13,15-16H,1-7,10-12,14H2;1H
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44n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT7 receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50199135
PNG
(CHEMBL3899099)
Show SMILES Cl.Clc1cccc2CCN(CCCCc3nc4ccccc4s3)Cc12
Show InChI InChI=1S/C20H21ClN2S.ClH/c21-17-7-5-6-15-11-13-23(14-16(15)17)12-4-3-10-20-22-18-8-1-2-9-19(18)24-20;/h1-2,5-9H,3-4,10-14H2;1H
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45n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT7 receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50199135
PNG
(CHEMBL3899099)
Show SMILES Cl.Clc1cccc2CCN(CCCCc3nc4ccccc4s3)Cc12
Show InChI InChI=1S/C20H21ClN2S.ClH/c21-17-7-5-6-15-11-13-23(14-16(15)17)12-4-3-10-20-22-18-8-1-2-9-19(18)24-20;/h1-2,5-9H,3-4,10-14H2;1H
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45n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT7 receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50199126
PNG
(CHEMBL3978642)
Show SMILES Cl.O=C1C(CCN2CCc3ccccc3C2)Cc2ccccc12
Show InChI InChI=1S/C20H21NO.ClH/c22-20-17(13-16-6-3-4-8-19(16)20)10-12-21-11-9-15-5-1-2-7-18(15)14-21;/h1-8,17H,9-14H2;1H
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48n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50199141
PNG
(CHEMBL3898250)
Show SMILES Cl.Clc1ccc2C(=O)C(CCN3CCc4ccccc4C3)Cc2c1
Show InChI InChI=1S/C20H20ClNO.ClH/c21-18-5-6-19-17(12-18)11-15(20(19)23)8-10-22-9-7-14-3-1-2-4-16(14)13-22;/h1-6,12,15H,7-11,13H2;1H
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50n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from rat dopamine D4 receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50199141
PNG
(CHEMBL3898250)
Show SMILES Cl.Clc1ccc2C(=O)C(CCN3CCc4ccccc4C3)Cc2c1
Show InChI InChI=1S/C20H20ClNO.ClH/c21-18-5-6-19-17(12-18)11-15(20(19)23)8-10-22-9-7-14-3-1-2-4-16(14)13-22;/h1-6,12,15H,7-11,13H2;1H
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50n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from rat dopamine D4 receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%