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Compile Data Set for Download or QSAR

Found 219 hits with Last Name = 'adkins' and Initial = 'aa'   
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
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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0.360n/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 expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50182747
PNG
(CHEMBL3818994)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
Show InChI InChI=1S/C19H20FNO/c20-18-9-7-16(8-10-18)19(22)6-3-12-21-13-11-15-4-1-2-5-17(15)14-21/h1-2,4-5,7-10H,3,6,11-14H2
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2.30n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from rat D4 receptor expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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3.30n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2 receptor expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50182742
PNG
(CHEMBL3818047)
Show SMILES Clc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
Show InChI InChI=1S/C19H20ClNO/c20-18-9-7-16(8-10-18)19(22)6-3-12-21-13-11-15-4-1-2-5-17(15)14-21/h1-2,4-5,7-10H,3,6,11-14H2
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3.5n/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 expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50182742
PNG
(CHEMBL3818047)
Show SMILES Clc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
Show InChI InChI=1S/C19H20ClNO/c20-18-9-7-16(8-10-18)19(22)6-3-12-21-13-11-15-4-1-2-5-17(15)14-21/h1-2,4-5,7-10H,3,6,11-14H2
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3.60n/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 expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50182748
PNG
(CHEMBL3818989)
Show SMILES O=C(CCCN1CCc2ccccc2C1)c1ccccc1
Show InChI InChI=1S/C19H21NO/c21-19(17-8-2-1-3-9-17)11-6-13-20-14-12-16-7-4-5-10-18(16)15-20/h1-5,7-10H,6,11-15H2
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3.90n/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 cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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5.60n/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 cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50182742
PNG
(CHEMBL3818047)
Show SMILES Clc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
Show InChI InChI=1S/C19H20ClNO/c20-18-9-7-16(8-10-18)19(22)6-3-12-21-13-11-15-4-1-2-5-17(15)14-21/h1-2,4-5,7-10H,3,6,11-14H2
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8.10n/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 expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50182742
PNG
(CHEMBL3818047)
Show SMILES Clc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
Show InChI InChI=1S/C19H20ClNO/c20-18-9-7-16(8-10-18)19(22)6-3-12-21-13-11-15-4-1-2-5-17(15)14-21/h1-2,4-5,7-10H,3,6,11-14H2
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8.10n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from rat D4 receptor expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50182742
PNG
(CHEMBL3818047)
Show SMILES Clc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
Show InChI InChI=1S/C19H20ClNO/c20-18-9-7-16(8-10-18)19(22)6-3-12-21-13-11-15-4-1-2-5-17(15)14-21/h1-2,4-5,7-10H,3,6,11-14H2
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8.20n/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 cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50051164
PNG
(2-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-butyl]-isoi...)
Show SMILES O=C1N(CCCCN2CCc3ccccc3C2)C(=O)c2ccccc12
Show InChI InChI=1S/C21H22N2O2/c24-20-18-9-3-4-10-19(18)21(25)23(20)13-6-5-12-22-14-11-16-7-1-2-8-17(16)15-22/h1-4,7-10H,5-6,11-15H2
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8.5n/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 expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50051164
PNG
(2-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-butyl]-isoi...)
Show SMILES O=C1N(CCCCN2CCc3ccccc3C2)C(=O)c2ccccc12
Show InChI InChI=1S/C21H22N2O2/c24-20-18-9-3-4-10-19(18)21(25)23(20)13-6-5-12-22-14-11-16-7-1-2-8-17(16)15-22/h1-4,7-10H,5-6,11-15H2
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8.60n/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 expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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8.70n/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 cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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9.70n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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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]LSD from human 5-HT7 receptor expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50182741
PNG
(CHEMBL3818056)
Show SMILES Oc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
Show InChI InChI=1S/C19H21NO2/c21-18-9-7-16(8-10-18)19(22)6-3-12-20-13-11-15-4-1-2-5-17(15)14-20/h1-2,4-5,7-10,21H,3,6,11-14H2
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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]LSD from human 5-HT7 receptor expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50182747
PNG
(CHEMBL3818994)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
Show InChI InChI=1S/C19H20FNO/c20-18-9-7-16(8-10-18)19(22)6-3-12-21-13-11-15-4-1-2-5-17(15)14-21/h1-2,4-5,7-10H,3,6,11-14H2
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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 expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50182739
PNG
(CHEMBL3819427)
Show SMILES NC(=O)c1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
Show InChI InChI=1S/C20H22N2O2/c21-20(24)17-9-7-16(8-10-17)19(23)6-3-12-22-13-11-15-4-1-2-5-18(15)14-22/h1-2,4-5,7-10H,3,6,11-14H2,(H2,21,24)
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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]LSD from human 5-HT7 receptor expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50182739
PNG
(CHEMBL3819427)
Show SMILES NC(=O)c1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
Show InChI InChI=1S/C20H22N2O2/c21-20(24)17-9-7-16(8-10-17)19(23)6-3-12-22-13-11-15-4-1-2-5-18(15)14-22/h1-2,4-5,7-10H,3,6,11-14H2,(H2,21,24)
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13n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50182747
PNG
(CHEMBL3818994)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
Show InChI InChI=1S/C19H20FNO/c20-18-9-7-16(8-10-18)19(22)6-3-12-21-13-11-15-4-1-2-5-17(15)14-21/h1-2,4-5,7-10H,3,6,11-14H2
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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]Ketanserin from human 5-HT2A receptor expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50182742
PNG
(CHEMBL3818047)
Show SMILES Clc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
Show InChI InChI=1S/C19H20ClNO/c20-18-9-7-16(8-10-18)19(22)6-3-12-21-13-11-15-4-1-2-5-17(15)14-21/h1-2,4-5,7-10H,3,6,11-14H2
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17n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50182740
PNG
(CHEMBL3817898)
Show SMILES COc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
Show InChI InChI=1S/C20H23NO2/c1-23-19-10-8-17(9-11-19)20(22)7-4-13-21-14-12-16-5-2-3-6-18(16)15-21/h2-3,5-6,8-11H,4,7,12-15H2,1H3
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17n/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 expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50182739
PNG
(CHEMBL3819427)
Show SMILES NC(=O)c1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
Show InChI InChI=1S/C20H22N2O2/c21-20(24)17-9-7-16(8-10-17)19(23)6-3-12-22-13-11-15-4-1-2-5-18(15)14-22/h1-2,4-5,7-10H,3,6,11-14H2,(H2,21,24)
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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]N-methylspiperone from human D3 receptor expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50182740
PNG
(CHEMBL3817898)
Show SMILES COc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
Show InChI InChI=1S/C20H23NO2/c1-23-19-10-8-17(9-11-19)20(22)7-4-13-21-14-12-16-5-2-3-6-18(16)15-21/h2-3,5-6,8-11H,4,7,12-15H2,1H3
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23n/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 cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50182749
PNG
(CHEMBL3818200)
Show SMILES O=C(CCCN1CCc2ccccc2C1)c1ccc(cc1)C#N
Show InChI InChI=1S/C20H20N2O/c21-14-16-7-9-18(10-8-16)20(23)6-3-12-22-13-11-17-4-1-2-5-19(17)15-22/h1-2,4-5,7-10H,3,6,11-13,15H2
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23n/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 cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50182756
PNG
(CHEMBL3818710)
Show SMILES Cl.[O-][S+](CCCN1CCc2ccccc2C1)c1ccc(F)cc1
Show InChI InChI=1S/C18H20FNOS.ClH/c19-17-6-8-18(9-7-17)22(21)13-3-11-20-12-10-15-4-1-2-5-16(15)14-20;/h1-2,4-9H,3,10-14H2;1H
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23n/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 expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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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 H1 receptor expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50182745
PNG
(CHEMBL3818128)
Show SMILES Cl.Fc1ccc(CCCCN2CCc3ccccc3C2)cc1
Show InChI InChI=1S/C19H22FN.ClH/c20-19-10-8-16(9-11-19)5-3-4-13-21-14-12-17-6-1-2-7-18(17)15-21;/h1-2,6-11H,3-5,12-15H2;1H
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27n/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 expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50182740
PNG
(CHEMBL3817898)
Show SMILES COc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
Show InChI InChI=1S/C20H23NO2/c1-23-19-10-8-17(9-11-19)20(22)7-4-13-21-14-12-16-5-2-3-6-18(16)15-21/h2-3,5-6,8-11H,4,7,12-15H2,1H3
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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 expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50182741
PNG
(CHEMBL3818056)
Show SMILES Oc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
Show InChI InChI=1S/C19H21NO2/c21-18-9-7-16(8-10-18)19(22)6-3-12-20-13-11-15-4-1-2-5-17(15)14-20/h1-2,4-5,7-10,21H,3,6,11-14H2
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34n/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 cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50182750
PNG
(CHEMBL3819494)
Show SMILES C(CCc1c[nH]c2ccccc12)CN1CCc2ccccc2C1
Show InChI InChI=1S/C21H24N2/c1-2-9-19-16-23(14-12-17(19)7-1)13-6-5-8-18-15-22-21-11-4-3-10-20(18)21/h1-4,7,9-11,15,22H,5-6,8,12-14,16H2
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35n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from rat D4 receptor expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50182741
PNG
(CHEMBL3818056)
Show SMILES Oc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
Show InChI InChI=1S/C19H21NO2/c21-18-9-7-16(8-10-18)19(22)6-3-12-20-13-11-15-4-1-2-5-17(15)14-20/h1-2,4-5,7-10,21H,3,6,11-14H2
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35n/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 cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (Rat))
BDBM50182743
PNG
(CHEMBL3817911)
Show SMILES O=C1N(CCCCN2CCC3CCCCC3C2)C(=O)c2ccccc12
Show InChI InChI=1S/C21H28N2O2/c24-20-18-9-3-4-10-19(18)21(25)23(20)13-6-5-12-22-14-11-16-7-1-2-8-17(16)15-22/h3-4,9-10,16-17H,1-2,5-8,11-15H2
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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]Mesulergine from rat 5-HT2C receptor expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (Rat))
BDBM50182743
PNG
(CHEMBL3817911)
Show SMILES O=C1N(CCCCN2CCC3CCCCC3C2)C(=O)c2ccccc12
Show InChI InChI=1S/C21H28N2O2/c24-20-18-9-3-4-10-19(18)21(25)23(20)13-6-5-12-22-14-11-16-7-1-2-8-17(16)15-22/h3-4,9-10,16-17H,1-2,5-8,11-15H2
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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]Mesulergine from rat 5-HT2C receptor expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50182740
PNG
(CHEMBL3817898)
Show SMILES COc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
Show InChI InChI=1S/C20H23NO2/c1-23-19-10-8-17(9-11-19)20(22)7-4-13-21-14-12-16-5-2-3-6-18(16)15-21/h2-3,5-6,8-11H,4,7,12-15H2,1H3
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38n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50182739
PNG
(CHEMBL3819427)
Show SMILES NC(=O)c1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
Show InChI InChI=1S/C20H22N2O2/c21-20(24)17-9-7-16(8-10-17)19(23)6-3-12-22-13-11-15-4-1-2-5-18(15)14-22/h1-2,4-5,7-10H,3,6,11-14H2,(H2,21,24)
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38n/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 cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50182756
PNG
(CHEMBL3818710)
Show SMILES Cl.[O-][S+](CCCN1CCc2ccccc2C1)c1ccc(F)cc1
Show InChI InChI=1S/C18H20FNOS.ClH/c19-17-6-8-18(9-7-17)22(21)13-3-11-20-12-10-15-4-1-2-5-16(15)14-20;/h1-2,4-9H,3,10-14H2;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]8-OH-DPAT from human 5-HT1A receptor expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50182747
PNG
(CHEMBL3818994)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
Show InChI InChI=1S/C19H20FNO/c20-18-9-7-16(8-10-18)19(22)6-3-12-21-13-11-15-4-1-2-5-17(15)14-21/h1-2,4-5,7-10H,3,6,11-14H2
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49n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2 receptor expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50182746
PNG
(CHEMBL3819556)
Show SMILES Cl.Fc1ccc(SCCCN2CCc3ccccc3C2)cc1
Show InChI InChI=1S/C18H20FNS.ClH/c19-17-6-8-18(9-7-17)21-13-3-11-20-12-10-15-4-1-2-5-16(15)14-20;/h1-2,4-9H,3,10-14H2;1H
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49n/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 expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50182750
PNG
(CHEMBL3819494)
Show SMILES C(CCc1c[nH]c2ccccc12)CN1CCc2ccccc2C1
Show InChI InChI=1S/C21H24N2/c1-2-9-19-16-23(14-12-17(19)7-1)13-6-5-8-18-15-22-21-11-4-3-10-20(18)21/h1-4,7,9-11,15,22H,5-6,8,12-14,16H2
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51n/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 expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50182750
PNG
(CHEMBL3819494)
Show SMILES C(CCc1c[nH]c2ccccc12)CN1CCc2ccccc2C1
Show InChI InChI=1S/C21H24N2/c1-2-9-19-16-23(14-12-17(19)7-1)13-6-5-8-18-15-22-21-11-4-3-10-20(18)21/h1-4,7,9-11,15,22H,5-6,8,12-14,16H2
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52n/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 expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50182748
PNG
(CHEMBL3818989)
Show SMILES O=C(CCCN1CCc2ccccc2C1)c1ccccc1
Show InChI InChI=1S/C19H21NO/c21-19(17-8-2-1-3-9-17)11-6-13-20-14-12-16-7-4-5-10-18(16)15-20/h1-5,7-10H,6,11-15H2
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63n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]Pyrilamine from human H1 receptor expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50182748
PNG
(CHEMBL3818989)
Show SMILES O=C(CCCN1CCc2ccccc2C1)c1ccccc1
Show InChI InChI=1S/C19H21NO/c21-19(17-8-2-1-3-9-17)11-6-13-20-14-12-16-7-4-5-10-18(16)15-20/h1-5,7-10H,6,11-15H2
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68n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]Pyrilamine from human H1 receptor expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50182747
PNG
(CHEMBL3818994)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
Show InChI InChI=1S/C19H20FNO/c20-18-9-7-16(8-10-18)19(22)6-3-12-21-13-11-15-4-1-2-5-17(15)14-21/h1-2,4-5,7-10H,3,6,11-14H2
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72n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (Rat))
BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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76n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]Mesulergine from rat 5-HT2C receptor expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50132116
PNG
(2-[3-(4-Fluoro-phenoxy)-propyl]-1,2,3,4-tetrahydro...)
Show SMILES Fc1ccc(OCCCN2CCc3ccccc3C2)cc1
Show InChI InChI=1S/C18H20FNO/c19-17-6-8-18(9-7-17)21-13-3-11-20-12-10-15-4-1-2-5-16(15)14-20/h1-2,4-9H,3,10-14H2
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83n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from rat D4 receptor expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50182742
PNG
(CHEMBL3818047)
Show SMILES Clc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
Show InChI InChI=1S/C19H20ClNO/c20-18-9-7-16(8-10-18)19(22)6-3-12-21-13-11-15-4-1-2-5-17(15)14-21/h1-2,4-5,7-10H,3,6,11-14H2
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86n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from rat D4 receptor expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50182751
PNG
(CHEMBL3819082)
Show SMILES Cl.Fc1ccc2CC(CCN3CCc4ccccc4C3)Cc2c1
Show InChI InChI=1S/C20H22FN.ClH/c21-20-6-5-17-11-15(12-19(17)13-20)7-9-22-10-8-16-3-1-2-4-18(16)14-22;/h1-6,13,15H,7-12,14H2;1H
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86n/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 expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50182747
PNG
(CHEMBL3818994)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
Show InChI InChI=1S/C19H20FNO/c20-18-9-7-16(8-10-18)19(22)6-3-12-21-13-11-15-4-1-2-5-17(15)14-21/h1-2,4-5,7-10H,3,6,11-14H2
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86n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]Pyrilamine from human H1 receptor expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50132116
PNG
(2-[3-(4-Fluoro-phenoxy)-propyl]-1,2,3,4-tetrahydro...)
Show SMILES Fc1ccc(OCCCN2CCc3ccccc3C2)cc1
Show InChI InChI=1S/C18H20FNO/c19-17-6-8-18(9-7-17)21-13-3-11-20-12-10-15-4-1-2-5-16(15)14-20/h1-2,4-9H,3,10-14H2
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100n/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 expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
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