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PubMed code 12668005

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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50126474
PNG
(2-[4-(4-Naphthalen-1-yl-piperazin-1-yl)-butyl]-tet...)
Show SMILES Oc1c2CCCn2c(=O)n1CCCCN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C24H30N4O2/c29-23-22-11-6-14-27(22)24(30)28(23)13-4-3-12-25-15-17-26(18-16-25)21-10-5-8-19-7-1-2-9-20(19)21/h1-2,5,7-10,29H,3-4,6,11-18H2
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 2.40n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards 5-HT 1A receptor in rat cerebral cortex membranes using [3H]-8-OH-DPAT as radioligand

Bioorg Med Chem Lett 13: 1429-32 (2003)


BindingDB Entry DOI: 10.7270/Q2BV7FZX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50126481
PNG
(2-[4-(1H-Benzoimidazol-4-yl)-piperazin-1-ylmethyl]...)
Show SMILES Oc1c2CCCn2c(=O)n1CN1CCN(CC1)c1cccc2[nH]cnc12
Show InChI InChI=1S/C18H22N6O2/c25-17-15-5-2-6-23(15)18(26)24(17)12-21-7-9-22(10-8-21)14-4-1-3-13-16(14)20-11-19-13/h1,3-4,11,25H,2,5-10,12H2,(H,19,20)
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 4.10n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards 5-HT 1A receptor in rat cerebral cortex membranes using [3H]-8-OH-DPAT as radioligand

Bioorg Med Chem Lett 13: 1429-32 (2003)


BindingDB Entry DOI: 10.7270/Q2BV7FZX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50126475
PNG
(2-(4-Naphthalen-1-yl-piperazin-1-ylmethyl)-hexahyd...)
Show SMILES O=C1CN(CN2CCN(CC2)c2cccc3ccccc23)C(=O)C2CCCN12
Show InChI InChI=1S/C22H26N4O2/c27-21-15-25(22(28)20-9-4-10-26(20)21)16-23-11-13-24(14-12-23)19-8-3-6-17-5-1-2-7-18(17)19/h1-3,5-8,20H,4,9-16H2
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 4.10n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards 5-HT 1A receptor in rat cerebral cortex membranes using [3H]-8-OH-DPAT as radioligand

Bioorg Med Chem Lett 13: 1429-32 (2003)


BindingDB Entry DOI: 10.7270/Q2BV7FZX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50126477
PNG
(2-(4-Naphthalen-1-yl-piperazin-1-ylmethyl)-tetrahy...)
Show SMILES Oc1c2CCCCn2c(=O)n1CN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C22H26N4O2/c27-21-20-9-3-4-11-25(20)22(28)26(21)16-23-12-14-24(15-13-23)19-10-5-7-17-6-1-2-8-18(17)19/h1-2,5-8,10,27H,3-4,9,11-16H2
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 5.60n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards 5-HT 1A receptor in rat cerebral cortex membranes using [3H]-8-OH-DPAT as radioligand

Bioorg Med Chem Lett 13: 1429-32 (2003)


BindingDB Entry DOI: 10.7270/Q2BV7FZX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50451842
PNG
(CHEMBL2113339)
Show SMILES O=C1C2CCCCN2C(=O)N1CN1CCN(CC1)c1cccc2OCCOCc12
Show InChI InChI=1S/C21H28N4O4/c26-20-18-4-1-2-7-24(18)21(27)25(20)15-22-8-10-23(11-9-22)17-5-3-6-19-16(17)14-28-12-13-29-19/h3,5-6,18H,1-2,4,7-15H2
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 6.10n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards 5-HT 1A receptor in rat cerebral cortex membranes using [3H]-8-OH-DPAT as radioligand

Bioorg Med Chem Lett 13: 1429-32 (2003)


BindingDB Entry DOI: 10.7270/Q2BV7FZX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50126480
PNG
(2-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-piperazin...)
Show SMILES Oc1c2CCCCn2c(=O)n1CN1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C20H26N4O4/c25-19-16-4-1-2-7-23(16)20(26)24(19)14-21-8-10-22(11-9-21)15-5-3-6-17-18(15)28-13-12-27-17/h3,5-6,25H,1-2,4,7-14H2
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 9.30n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards 5-HT 1A receptor in rat cerebral cortex membranes using [3H]-8-OH-DPAT as radioligand

Bioorg Med Chem Lett 13: 1429-32 (2003)


BindingDB Entry DOI: 10.7270/Q2BV7FZX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50126476
PNG
(2-(4-Naphthalen-1-yl-piperazin-1-ylmethyl)-tetrahy...)
Show SMILES Oc1c2CCCn2c(=O)n1CN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C21H24N4O2/c26-20-19-9-4-10-24(19)21(27)25(20)15-22-11-13-23(14-12-22)18-8-3-6-16-5-1-2-7-17(16)18/h1-3,5-8,26H,4,9-15H2
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 10n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards 5-HT 1A receptor in rat cerebral cortex membranes using [3H]-8-OH-DPAT as radioligand

Bioorg Med Chem Lett 13: 1429-32 (2003)


BindingDB Entry DOI: 10.7270/Q2BV7FZX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50451843
PNG
(CHEMBL2113340)
Show SMILES O=C1CN(CN2CCN(CC2)c2cccc3OCCOCc23)C(=O)C2CCCN12
Show InChI InChI=1S/C21H28N4O4/c26-20-13-24(21(27)18-4-2-6-25(18)20)15-22-7-9-23(10-8-22)17-3-1-5-19-16(17)14-28-11-12-29-19/h1,3,5,18H,2,4,6-15H2
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 12n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards 5-HT 1A receptor in rat cerebral cortex membranes using [3H]-8-OH-DPAT as radioligand

Bioorg Med Chem Lett 13: 1429-32 (2003)


BindingDB Entry DOI: 10.7270/Q2BV7FZX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM50126475
PNG
(2-(4-Naphthalen-1-yl-piperazin-1-ylmethyl)-hexahyd...)
Show SMILES O=C1CN(CN2CCN(CC2)c2cccc3ccccc23)C(=O)C2CCCN12
Show InChI InChI=1S/C22H26N4O2/c27-21-15-25(22(28)20-9-4-10-26(20)21)16-23-11-13-24(14-12-23)19-8-3-6-17-5-1-2-7-18(17)19/h1-3,5-8,20H,4,9-16H2
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 14n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards 5-HT 2A receptor in rat cerebral frontal cortex membranes using [3H]-ketanserin as radioligand

Bioorg Med Chem Lett 13: 1429-32 (2003)


BindingDB Entry DOI: 10.7270/Q2BV7FZX
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50126474
PNG
(2-[4-(4-Naphthalen-1-yl-piperazin-1-yl)-butyl]-tet...)
Show SMILES Oc1c2CCCn2c(=O)n1CCCCN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C24H30N4O2/c29-23-22-11-6-14-27(22)24(30)28(23)13-4-3-12-25-15-17-26(18-16-25)21-10-5-8-19-7-1-2-9-20(19)21/h1-2,5,7-10,29H,3-4,6,11-18H2
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 65n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor in rat cerebral cortex membranes using [3H]prazosin as radioligand

Bioorg Med Chem Lett 13: 1429-32 (2003)


BindingDB Entry DOI: 10.7270/Q2BV7FZX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))		BDBM50126475
PNG
(2-(4-Naphthalen-1-yl-piperazin-1-ylmethyl)-hexahyd...)
Show SMILES O=C1CN(CN2CCN(CC2)c2cccc3ccccc23)C(=O)C2CCCN12
Show InChI InChI=1S/C22H26N4O2/c27-21-15-25(22(28)20-9-4-10-26(20)21)16-23-11-13-24(14-12-23)19-8-3-6-17-5-1-2-7-18(17)19/h1-3,5-8,20H,4,9-16H2
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 101n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards 5-HT 7 receptor in rat hypothalamus membranes using [3H]-5-CT as radioligand

Bioorg Med Chem Lett 13: 1429-32 (2003)


BindingDB Entry DOI: 10.7270/Q2BV7FZX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50126475
PNG
(2-(4-Naphthalen-1-yl-piperazin-1-ylmethyl)-hexahyd...)
Show SMILES O=C1CN(CN2CCN(CC2)c2cccc3ccccc23)C(=O)C2CCCN12
Show InChI InChI=1S/C22H26N4O2/c27-21-15-25(22(28)20-9-4-10-26(20)21)16-23-11-13-24(14-12-23)19-8-3-6-17-5-1-2-7-18(17)19/h1-3,5-8,20H,4,9-16H2
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 192n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards dopamine D2 receptor in rat striatum membranes using [3H]-raclopride as radioligand

Bioorg Med Chem Lett 13: 1429-32 (2003)


BindingDB Entry DOI: 10.7270/Q2BV7FZX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50126475
PNG
(2-(4-Naphthalen-1-yl-piperazin-1-ylmethyl)-hexahyd...)
Show SMILES O=C1CN(CN2CCN(CC2)c2cccc3ccccc23)C(=O)C2CCCN12
Show InChI InChI=1S/C22H26N4O2/c27-21-15-25(22(28)20-9-4-10-26(20)21)16-23-11-13-24(14-12-23)19-8-3-6-17-5-1-2-7-18(17)19/h1-3,5-8,20H,4,9-16H2
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 976n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards 5-HT transporter in rat cerebral cortex membranes using [3H]-paroxetine as radioligand

Bioorg Med Chem Lett 13: 1429-32 (2003)


BindingDB Entry DOI: 10.7270/Q2BV7FZX
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50126477
PNG
(2-(4-Naphthalen-1-yl-piperazin-1-ylmethyl)-tetrahy...)
Show SMILES Oc1c2CCCCn2c(=O)n1CN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C22H26N4O2/c27-21-20-9-3-4-11-25(20)22(28)26(21)16-23-12-14-24(15-13-23)19-10-5-7-17-6-1-2-8-18(17)19/h1-2,5-8,10,27H,3-4,9,11-16H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor in rat cerebral cortex membranes using [3H]prazosin as radioligand

Bioorg Med Chem Lett 13: 1429-32 (2003)


BindingDB Entry DOI: 10.7270/Q2BV7FZX
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50451843
PNG
(CHEMBL2113340)
Show SMILES O=C1CN(CN2CCN(CC2)c2cccc3OCCOCc23)C(=O)C2CCCN12
Show InChI InChI=1S/C21H28N4O4/c26-20-13-24(21(27)18-4-2-6-25(18)20)15-22-7-9-23(10-8-22)17-3-1-5-19-16(17)14-28-11-12-29-19/h1,3,5,18H,2,4,6-15H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor in rat cerebral cortex membranes using [3H]prazosin as radioligand

Bioorg Med Chem Lett 13: 1429-32 (2003)


BindingDB Entry DOI: 10.7270/Q2BV7FZX
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50126480
PNG
(2-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-piperazin...)
Show SMILES Oc1c2CCCCn2c(=O)n1CN1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C20H26N4O4/c25-19-16-4-1-2-7-23(16)20(26)24(19)14-21-8-10-22(11-9-21)15-5-3-6-17-18(15)28-13-12-27-17/h3,5-6,25H,1-2,4,7-14H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor in rat cerebral cortex membranes using [3H]prazosin as radioligand

Bioorg Med Chem Lett 13: 1429-32 (2003)


BindingDB Entry DOI: 10.7270/Q2BV7FZX
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50126475
PNG
(2-(4-Naphthalen-1-yl-piperazin-1-ylmethyl)-hexahyd...)
Show SMILES O=C1CN(CN2CCN(CC2)c2cccc3ccccc23)C(=O)C2CCCN12
Show InChI InChI=1S/C22H26N4O2/c27-21-15-25(22(28)20-9-4-10-26(20)21)16-23-11-13-24(14-12-23)19-8-3-6-17-5-1-2-7-18(17)19/h1-3,5-8,20H,4,9-16H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor in rat cerebral cortex membranes using [3H]prazosin as radioligand

Bioorg Med Chem Lett 13: 1429-32 (2003)


BindingDB Entry DOI: 10.7270/Q2BV7FZX
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50126476
PNG
(2-(4-Naphthalen-1-yl-piperazin-1-ylmethyl)-tetrahy...)
Show SMILES Oc1c2CCCn2c(=O)n1CN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C21H24N4O2/c26-20-19-9-4-10-24(19)21(27)25(20)15-22-11-13-23(14-12-22)18-8-3-6-16-5-1-2-7-17(16)18/h1-3,5-8,26H,4,9-15H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor in rat cerebral cortex membranes using [3H]prazosin as radioligand

Bioorg Med Chem Lett 13: 1429-32 (2003)


BindingDB Entry DOI: 10.7270/Q2BV7FZX
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50451842
PNG
(CHEMBL2113339)
Show SMILES O=C1C2CCCCN2C(=O)N1CN1CCN(CC1)c1cccc2OCCOCc12
Show InChI InChI=1S/C21H28N4O4/c26-20-18-4-1-2-7-24(18)21(27)25(20)15-22-8-10-23(11-9-22)17-5-3-6-19-16(17)14-28-12-13-29-19/h3,5-6,18H,1-2,4,7-15H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor in rat cerebral cortex membranes using [3H]prazosin as radioligand

Bioorg Med Chem Lett 13: 1429-32 (2003)


BindingDB Entry DOI: 10.7270/Q2BV7FZX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)		BDBM50126475
PNG
(2-(4-Naphthalen-1-yl-piperazin-1-ylmethyl)-hexahyd...)
Show SMILES O=C1CN(CN2CCN(CC2)c2cccc3ccccc23)C(=O)C2CCCN12
Show InChI InChI=1S/C22H26N4O2/c27-21-15-25(22(28)20-9-4-10-26(20)21)16-23-11-13-24(14-12-23)19-8-3-6-17-5-1-2-7-18(17)19/h1-3,5-8,20H,4,9-16H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards 5-HT 4 receptor in rat striatum membranes using [3H]-GR-113,808 as radioligand

Bioorg Med Chem Lett 13: 1429-32 (2003)


BindingDB Entry DOI: 10.7270/Q2BV7FZX
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50126481
PNG
(2-[4-(1H-Benzoimidazol-4-yl)-piperazin-1-ylmethyl]...)
Show SMILES Oc1c2CCCn2c(=O)n1CN1CCN(CC1)c1cccc2[nH]cnc12
Show InChI InChI=1S/C18H22N6O2/c25-17-15-5-2-6-23(15)18(26)24(17)12-21-7-9-22(10-8-21)14-4-1-3-13-16(14)20-11-19-13/h1,3-4,11,25H,2,5-10,12H2,(H,19,20)
PDB

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PC cid
PC sid
UniChem

Similars
PubMed
 1.00E+4n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor in rat cerebral cortex membranes using [3H]prazosin as radioligand

Bioorg Med Chem Lett 13: 1429-32 (2003)


BindingDB Entry DOI: 10.7270/Q2BV7FZX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%