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Articleid 50029949

Compile data set for download or QSAR
Found 21 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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50017721
PNG
(1-Methyl-4-(5H-dibenzo(a,d)cycloheptenylidene)pipe...)
Show SMILES CN1CCC(CC1)=C1c2ccccc2C=Cc2ccccc12
Show InChI InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3
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Article
5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from 5-hydroxytryptamine 2A receptor of rat brain cortex


Bioorg Med Chem Lett 7: 1635-1638 (1997)


Article DOI: 10.1016/S0960-894X(97)00291-6
BindingDB Entry DOI: 10.7270/Q2QZ29ZT
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50289607
PNG
(4,6-Di-furan-3-yl-2-(4-methyl-piperazin-1-yl)-pyri...)
Show SMILES CN1CCN(CC1)c1nc(cc(n1)-c1ccoc1)-c1ccoc1
Show InChI InChI=1S/C17H18N4O2/c1-20-4-6-21(7-5-20)17-18-15(13-2-8-22-11-13)10-16(19-17)14-3-9-23-12-14/h2-3,8-12H,4-7H2,1H3
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8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from 5-hydroxytryptamine 2A receptor of rat brain cortex


Bioorg Med Chem Lett 7: 1635-1638 (1997)


Article DOI: 10.1016/S0960-894X(97)00291-6
BindingDB Entry DOI: 10.7270/Q2QZ29ZT
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50289603
PNG
(2-(4-Methyl-piperazin-1-yl)-4,6-di-thiophen-2-yl-p...)
Show SMILES CN1CCN(CC1)c1nc(cc(n1)-c1cccs1)-c1cccs1
Show InChI InChI=1S/C17H18N4S2/c1-20-6-8-21(9-7-20)17-18-13(15-4-2-10-22-15)12-14(19-17)16-5-3-11-23-16/h2-5,10-12H,6-9H2,1H3
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8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from 5-hydroxytryptamine 2A receptor of rat brain cortex


Bioorg Med Chem Lett 7: 1635-1638 (1997)


Article DOI: 10.1016/S0960-894X(97)00291-6
BindingDB Entry DOI: 10.7270/Q2QZ29ZT
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50289609
PNG
(4-Furan-3-yl-2-(4-methyl-piperazin-1-yl)-6-phenyl-...)
Show SMILES CN1CCN(CC1)c1nc(cc(n1)-c1ccccc1)-c1ccoc1
Show InChI InChI=1S/C19H20N4O/c1-22-8-10-23(11-9-22)19-20-17(15-5-3-2-4-6-15)13-18(21-19)16-7-12-24-14-16/h2-7,12-14H,8-11H2,1H3
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9n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from 5-hydroxytryptamine 2A receptor of rat brain cortex


Bioorg Med Chem Lett 7: 1635-1638 (1997)


Article DOI: 10.1016/S0960-894X(97)00291-6
BindingDB Entry DOI: 10.7270/Q2QZ29ZT
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50289602
PNG
(4-Furan-3-yl-2-(4-methyl-piperazin-1-yl)-6-thiophe...)
Show SMILES CN1CCN(CC1)c1nc(cc(n1)-c1cccs1)-c1ccoc1
Show InChI InChI=1S/C17H18N4OS/c1-20-5-7-21(8-6-20)17-18-14(13-4-9-22-12-13)11-15(19-17)16-3-2-10-23-16/h2-4,9-12H,5-8H2,1H3
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from 5-hydroxytryptamine 2A receptor of rat brain cortex


Bioorg Med Chem Lett 7: 1635-1638 (1997)


Article DOI: 10.1016/S0960-894X(97)00291-6
BindingDB Entry DOI: 10.7270/Q2QZ29ZT
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50289608
PNG
(4-Furan-3-yl-2-(4-methyl-piperazin-1-yl)-pyrimidin...)
Show SMILES CN1CCN(CC1)c1nccc(n1)-c1ccoc1
Show InChI InChI=1S/C13H16N4O/c1-16-5-7-17(8-6-16)13-14-4-2-12(15-13)11-3-9-18-10-11/h2-4,9-10H,5-8H2,1H3
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from 5-hydroxytryptamine 2A receptor of rat brain cortex


Bioorg Med Chem Lett 7: 1635-1638 (1997)


Article DOI: 10.1016/S0960-894X(97)00291-6
BindingDB Entry DOI: 10.7270/Q2QZ29ZT
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50289605
PNG
(4-Furan-2-yl-6-furan-3-yl-2-(4-methyl-piperazin-1-...)
Show SMILES CN1CCN(CC1)c1nc(cc(n1)-c1ccco1)-c1ccoc1
Show InChI InChI=1S/C17H18N4O2/c1-20-5-7-21(8-6-20)17-18-14(13-4-10-22-12-13)11-15(19-17)16-3-2-9-23-16/h2-4,9-12H,5-8H2,1H3
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13n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from 5-hydroxytryptamine 2A receptor of rat brain cortex


Bioorg Med Chem Lett 7: 1635-1638 (1997)


Article DOI: 10.1016/S0960-894X(97)00291-6
BindingDB Entry DOI: 10.7270/Q2QZ29ZT
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50289601
PNG
(4-Furan-3-yl-6-methyl-2-(4-methyl-piperazin-1-yl)-...)
Show SMILES CN1CCN(CC1)c1nc(C)cc(n1)-c1ccoc1
Show InChI InChI=1S/C14H18N4O/c1-11-9-13(12-3-8-19-10-12)16-14(15-11)18-6-4-17(2)5-7-18/h3,8-10H,4-7H2,1-2H3
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50n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from 5-hydroxytryptamine 2A receptor of rat brain cortex


Bioorg Med Chem Lett 7: 1635-1638 (1997)


Article DOI: 10.1016/S0960-894X(97)00291-6
BindingDB Entry DOI: 10.7270/Q2QZ29ZT
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50289606
PNG
(2-(4-Methyl-piperazin-1-yl)-4-thiophen-2-yl-pyrimi...)
Show SMILES CN1CCN(CC1)c1nccc(n1)-c1cccs1
Show InChI InChI=1S/C13H16N4S/c1-16-6-8-17(9-7-16)13-14-5-4-11(15-13)12-3-2-10-18-12/h2-5,10H,6-9H2,1H3
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208n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from 5-hydroxytryptamine 2A receptor of rat brain cortex


Bioorg Med Chem Lett 7: 1635-1638 (1997)


Article DOI: 10.1016/S0960-894X(97)00291-6
BindingDB Entry DOI: 10.7270/Q2QZ29ZT
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50289601
PNG
(4-Furan-3-yl-6-methyl-2-(4-methyl-piperazin-1-yl)-...)
Show SMILES CN1CCN(CC1)c1nc(C)cc(n1)-c1ccoc1
Show InChI InChI=1S/C14H18N4O/c1-11-9-13(12-3-8-19-10-12)16-14(15-11)18-6-4-17(2)5-7-18/h3,8-10H,4-7H2,1-2H3
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265n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat brain hippocampus


Bioorg Med Chem Lett 7: 1635-1638 (1997)


Article DOI: 10.1016/S0960-894X(97)00291-6
BindingDB Entry DOI: 10.7270/Q2QZ29ZT
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50289605
PNG
(4-Furan-2-yl-6-furan-3-yl-2-(4-methyl-piperazin-1-...)
Show SMILES CN1CCN(CC1)c1nc(cc(n1)-c1ccco1)-c1ccoc1
Show InChI InChI=1S/C17H18N4O2/c1-20-5-7-21(8-6-20)17-18-14(13-4-10-22-12-13)11-15(19-17)16-3-2-9-23-16/h2-4,9-12H,5-8H2,1H3
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415n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat brain hippocampus


Bioorg Med Chem Lett 7: 1635-1638 (1997)


Article DOI: 10.1016/S0960-894X(97)00291-6
BindingDB Entry DOI: 10.7270/Q2QZ29ZT
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50289606
PNG
(2-(4-Methyl-piperazin-1-yl)-4-thiophen-2-yl-pyrimi...)
Show SMILES CN1CCN(CC1)c1nccc(n1)-c1cccs1
Show InChI InChI=1S/C13H16N4S/c1-16-6-8-17(9-7-16)13-14-5-4-11(15-13)12-3-2-10-18-12/h2-5,10H,6-9H2,1H3
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484n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat brain hippocampus


Bioorg Med Chem Lett 7: 1635-1638 (1997)


Article DOI: 10.1016/S0960-894X(97)00291-6
BindingDB Entry DOI: 10.7270/Q2QZ29ZT
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50289600
PNG
(2-(4-Methyl-piperazin-1-yl)-4-phenyl-pyrimidine | ...)
Show SMILES CN1CCN(CC1)c1nccc(n1)-c1ccccc1
Show InChI InChI=1S/C15H18N4/c1-18-9-11-19(12-10-18)15-16-8-7-14(17-15)13-5-3-2-4-6-13/h2-8H,9-12H2,1H3
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613n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat brain hippocampus


Bioorg Med Chem Lett 7: 1635-1638 (1997)


Article DOI: 10.1016/S0960-894X(97)00291-6
BindingDB Entry DOI: 10.7270/Q2QZ29ZT
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50289607
PNG
(4,6-Di-furan-3-yl-2-(4-methyl-piperazin-1-yl)-pyri...)
Show SMILES CN1CCN(CC1)c1nc(cc(n1)-c1ccoc1)-c1ccoc1
Show InChI InChI=1S/C17H18N4O2/c1-20-4-6-21(7-5-20)17-18-15(13-2-8-22-11-13)10-16(19-17)14-3-9-23-12-14/h2-3,8-12H,4-7H2,1H3
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621n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat brain hippocampus


Bioorg Med Chem Lett 7: 1635-1638 (1997)


Article DOI: 10.1016/S0960-894X(97)00291-6
BindingDB Entry DOI: 10.7270/Q2QZ29ZT
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50289608
PNG
(4-Furan-3-yl-2-(4-methyl-piperazin-1-yl)-pyrimidin...)
Show SMILES CN1CCN(CC1)c1nccc(n1)-c1ccoc1
Show InChI InChI=1S/C13H16N4O/c1-16-5-7-17(8-6-16)13-14-4-2-12(15-13)11-3-9-18-10-11/h2-4,9-10H,5-8H2,1H3
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700n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat brain hippocampus


Bioorg Med Chem Lett 7: 1635-1638 (1997)


Article DOI: 10.1016/S0960-894X(97)00291-6
BindingDB Entry DOI: 10.7270/Q2QZ29ZT
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50289604
PNG
(4-Furan-2-yl-2-(4-methyl-piperazin-1-yl)-pyrimidin...)
Show SMILES CN1CCN(CC1)c1nccc(n1)-c1ccco1
Show InChI InChI=1S/C13H16N4O/c1-16-6-8-17(9-7-16)13-14-5-4-11(15-13)12-3-2-10-18-12/h2-5,10H,6-9H2,1H3
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745n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from 5-hydroxytryptamine 2A receptor of rat brain cortex


Bioorg Med Chem Lett 7: 1635-1638 (1997)


Article DOI: 10.1016/S0960-894X(97)00291-6
BindingDB Entry DOI: 10.7270/Q2QZ29ZT
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50289604
PNG
(4-Furan-2-yl-2-(4-methyl-piperazin-1-yl)-pyrimidin...)
Show SMILES CN1CCN(CC1)c1nccc(n1)-c1ccco1
Show InChI InChI=1S/C13H16N4O/c1-16-6-8-17(9-7-16)13-14-5-4-11(15-13)12-3-2-10-18-12/h2-5,10H,6-9H2,1H3
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810n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat brain hippocampus


Bioorg Med Chem Lett 7: 1635-1638 (1997)


Article DOI: 10.1016/S0960-894X(97)00291-6
BindingDB Entry DOI: 10.7270/Q2QZ29ZT
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50289603
PNG
(2-(4-Methyl-piperazin-1-yl)-4,6-di-thiophen-2-yl-p...)
Show SMILES CN1CCN(CC1)c1nc(cc(n1)-c1cccs1)-c1cccs1
Show InChI InChI=1S/C17H18N4S2/c1-20-6-8-21(9-7-20)17-18-13(15-4-2-10-22-15)12-14(19-17)16-5-3-11-23-16/h2-5,10-12H,6-9H2,1H3
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972n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat brain hippocampus


Bioorg Med Chem Lett 7: 1635-1638 (1997)


Article DOI: 10.1016/S0960-894X(97)00291-6
BindingDB Entry DOI: 10.7270/Q2QZ29ZT
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50289609
PNG
(4-Furan-3-yl-2-(4-methyl-piperazin-1-yl)-6-phenyl-...)
Show SMILES CN1CCN(CC1)c1nc(cc(n1)-c1ccccc1)-c1ccoc1
Show InChI InChI=1S/C19H20N4O/c1-22-8-10-23(11-9-22)19-20-17(15-5-3-2-4-6-15)13-18(21-19)16-7-12-24-14-16/h2-7,12-14H,8-11H2,1H3
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1.34E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat brain hippocampus


Bioorg Med Chem Lett 7: 1635-1638 (1997)


Article DOI: 10.1016/S0960-894X(97)00291-6
BindingDB Entry DOI: 10.7270/Q2QZ29ZT
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50289600
PNG
(2-(4-Methyl-piperazin-1-yl)-4-phenyl-pyrimidine | ...)
Show SMILES CN1CCN(CC1)c1nccc(n1)-c1ccccc1
Show InChI InChI=1S/C15H18N4/c1-18-9-11-19(12-10-18)15-16-8-7-14(17-15)13-5-3-2-4-6-13/h2-8H,9-12H2,1H3
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2.10E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from 5-hydroxytryptamine 2A receptor of rat brain cortex


Bioorg Med Chem Lett 7: 1635-1638 (1997)


Article DOI: 10.1016/S0960-894X(97)00291-6
BindingDB Entry DOI: 10.7270/Q2QZ29ZT
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50289602
PNG
(4-Furan-3-yl-2-(4-methyl-piperazin-1-yl)-6-thiophe...)
Show SMILES CN1CCN(CC1)c1nc(cc(n1)-c1cccs1)-c1ccoc1
Show InChI InChI=1S/C17H18N4OS/c1-20-5-7-21(8-6-20)17-18-14(13-4-9-22-12-13)11-15(19-17)16-3-2-10-23-16/h2-4,9-12H,5-8H2,1H3
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2.24E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat brain hippocampus


Bioorg Med Chem Lett 7: 1635-1638 (1997)


Article DOI: 10.1016/S0960-894X(97)00291-6
BindingDB Entry DOI: 10.7270/Q2QZ29ZT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%