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Compile Data Set for Download or QSAR

Found 85 hits with Last Name = 'mouithys-mickalad' and Initial = 'a'   
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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50111626
PNG
(3-Methyl-6-[2-(4-phenyl-piperidin-1-yl)-ethyl]-3H-...)
Show SMILES Cn1c2ccc(CCN3CCC(CC3)c3ccccc3)cc2sc1=O
Show InChI InChI=1S/C21H24N2OS/c1-22-19-8-7-16(15-20(19)25-21(22)24)9-12-23-13-10-18(11-14-23)17-5-3-2-4-6-17/h2-8,15,18H,9-14H2,1H3
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2n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL




Bioorg Med Chem Lett 12: 1149-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44PM6
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50111625
PNG
(6-[4-(4-Benzyl-piperazin-1-yl)-butyl]-3-methyl-3H-...)
Show SMILES Cn1c2ccc(CCCCN3CCN(Cc4ccccc4)CC3)cc2sc1=O
Show InChI InChI=1S/C23H29N3OS/c1-24-21-11-10-19(17-22(21)28-23(24)27)7-5-6-12-25-13-15-26(16-14-25)18-20-8-3-2-4-9-20/h2-4,8-11,17H,5-7,12-16,18H2,1H3
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2n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from rat cortex 5-HT3 receptor


Bioorg Med Chem Lett 12: 1149-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44PM6
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50111628
PNG
(6-{4-[4-(3,4-Dichloro-benzyl)-piperazin-1-yl]-buty...)
Show SMILES Cn1c2ccc(CCCCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cc2sc1=O
Show InChI InChI=1S/C23H27Cl2N3OS/c1-26-21-8-6-17(15-22(21)30-23(26)29)4-2-3-9-27-10-12-28(13-11-27)16-18-5-7-19(24)20(25)14-18/h5-8,14-15H,2-4,9-13,16H2,1H3
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2n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
In vitro binding affinity for Sigma opioid receptor by displacement of [3H]-DTG


Bioorg Med Chem Lett 12: 1149-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44PM6
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM50111631
PNG
(6-[2-(4-Benzyl-piperidin-1-yl)-ethyl]-3-methyl-3H-...)
Show SMILES Cn1c2ccc(CCN3CCC(Cc4ccccc4)CC3)cc2sc1=O
Show InChI InChI=1S/C22H26N2OS/c1-23-20-8-7-18(16-21(20)26-22(23)25)9-12-24-13-10-19(11-14-24)15-17-5-3-2-4-6-17/h2-8,16,19H,9-15H2,1H3
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3n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]- pyrilamine from rat brain membrane Histamine H1 receptor


Bioorg Med Chem Lett 12: 1149-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44PM6
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50111632
PNG
(3-Methyl-6-[4-(4-phenyl-piperidin-1-yl)-butyl]-3H-...)
Show SMILES Cn1c2ccc(CCCCN3CCC(CC3)c3ccccc3)cc2sc1=O
Show InChI InChI=1S/C23H28N2OS/c1-24-21-11-10-18(17-22(21)27-23(24)26)7-5-6-14-25-15-12-20(13-16-25)19-8-3-2-4-9-19/h2-4,8-11,17,20H,5-7,12-16H2,1H3
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3n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
In vitro binding affinity for Sigma opioid receptor by displacement of [3H]-DTG


Bioorg Med Chem Lett 12: 1149-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44PM6
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50111627
PNG
(6-[2-(4-Benzyl-piperazin-1-yl)-ethyl]-3-methyl-3H-...)
Show SMILES Cn1c2ccc(CCN3CCN(Cc4ccccc4)CC3)cc2sc1=O
Show InChI InChI=1S/C21H25N3OS/c1-22-19-8-7-17(15-20(19)26-21(22)25)9-10-23-11-13-24(14-12-23)16-18-5-3-2-4-6-18/h2-8,15H,9-14,16H2,1H3
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3n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
In vitro binding affinity for Sigma opioid receptor by displacement of [3H]-DTG


Bioorg Med Chem Lett 12: 1149-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44PM6
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50111626
PNG
(3-Methyl-6-[2-(4-phenyl-piperidin-1-yl)-ethyl]-3H-...)
Show SMILES Cn1c2ccc(CCN3CCC(CC3)c3ccccc3)cc2sc1=O
Show InChI InChI=1S/C21H24N2OS/c1-22-19-8-7-16(15-20(19)25-21(22)24)9-12-23-13-10-18(11-14-23)17-5-3-2-4-6-17/h2-8,15,18H,9-14H2,1H3
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4n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from rat cortex membrane 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 12: 1149-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44PM6
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50111631
PNG
(6-[2-(4-Benzyl-piperidin-1-yl)-ethyl]-3-methyl-3H-...)
Show SMILES Cn1c2ccc(CCN3CCC(Cc4ccccc4)CC3)cc2sc1=O
Show InChI InChI=1S/C22H26N2OS/c1-23-20-8-7-18(16-21(20)26-22(23)25)9-12-24-13-10-19(11-14-24)15-17-5-3-2-4-6-17/h2-8,16,19H,9-15H2,1H3
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4n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from rat cortex membrane 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 12: 1149-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44PM6
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50111630
PNG
(6-[4-(4-Benzyl-piperidin-1-yl)-butyl]-3-methyl-3H-...)
Show SMILES Cn1c2ccc(CCCCN3CCC(Cc4ccccc4)CC3)cc2sc1=O
Show InChI InChI=1S/C24H30N2OS/c1-25-22-11-10-20(18-23(22)28-24(25)27)9-5-6-14-26-15-12-21(13-16-26)17-19-7-3-2-4-8-19/h2-4,7-8,10-11,18,21H,5-6,9,12-17H2,1H3
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5n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
In vitro binding affinity for Sigma opioid receptor by displacement of [3H]-DTG


Bioorg Med Chem Lett 12: 1149-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44PM6
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50111634
PNG
(6-{2-[4-(3,4-Dichloro-benzyl)-piperazin-1-yl]-ethy...)
Show SMILES Cn1c2ccc(CCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cc2sc1=O
Show InChI InChI=1S/C21H23Cl2N3OS/c1-24-19-5-3-15(13-20(19)28-21(24)27)6-7-25-8-10-26(11-9-25)14-16-2-4-17(22)18(23)12-16/h2-5,12-13H,6-11,14H2,1H3
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5n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
In vitro binding affinity for Sigma opioid receptor by displacement of [3H]-DTG


Bioorg Med Chem Lett 12: 1149-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44PM6
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50111631
PNG
(6-[2-(4-Benzyl-piperidin-1-yl)-ethyl]-3-methyl-3H-...)
Show SMILES Cn1c2ccc(CCN3CCC(Cc4ccccc4)CC3)cc2sc1=O
Show InChI InChI=1S/C22H26N2OS/c1-23-20-8-7-18(16-21(20)26-22(23)25)9-12-24-13-10-19(11-14-24)15-17-5-3-2-4-6-17/h2-8,16,19H,9-15H2,1H3
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5n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
In vitro binding affinity for Sigma opioid receptor by displacement of [3H]-DTG


Bioorg Med Chem Lett 12: 1149-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44PM6
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM50111627
PNG
(6-[2-(4-Benzyl-piperazin-1-yl)-ethyl]-3-methyl-3H-...)
Show SMILES Cn1c2ccc(CCN3CCN(Cc4ccccc4)CC3)cc2sc1=O
Show InChI InChI=1S/C21H25N3OS/c1-22-19-8-7-17(15-20(19)26-21(22)25)9-10-23-11-13-24(14-12-23)16-18-5-3-2-4-6-18/h2-8,15H,9-14,16H2,1H3
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7n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]- pyrilamine from rat brain membrane Histamine H1 receptor


Bioorg Med Chem Lett 12: 1149-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44PM6
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50111629
PNG
(6-{2-[4-(2,4-Dichloro-benzyl)-piperazin-1-yl]-ethy...)
Show SMILES Cn1c2ccc(CCN3CCN(Cc4ccc(Cl)cc4Cl)CC3)cc2sc1=O
Show InChI InChI=1S/C21H23Cl2N3OS/c1-24-19-5-2-15(12-20(19)28-21(24)27)6-7-25-8-10-26(11-9-25)14-16-3-4-17(22)13-18(16)23/h2-5,12-13H,6-11,14H2,1H3
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8n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
In vitro binding affinity for Sigma opioid receptor by displacement of [3H]-DTG


Bioorg Med Chem Lett 12: 1149-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44PM6
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM50111628
PNG
(6-{4-[4-(3,4-Dichloro-benzyl)-piperazin-1-yl]-buty...)
Show SMILES Cn1c2ccc(CCCCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cc2sc1=O
Show InChI InChI=1S/C23H27Cl2N3OS/c1-26-21-8-6-17(15-22(21)30-23(26)29)4-2-3-9-27-10-12-28(13-11-27)16-18-5-7-19(24)20(25)14-18/h5-8,14-15H,2-4,9-13,16H2,1H3
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9n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]- pyrilamine from rat brain membrane Histamine H1 receptor


Bioorg Med Chem Lett 12: 1149-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44PM6
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM50111630
PNG
(6-[4-(4-Benzyl-piperidin-1-yl)-butyl]-3-methyl-3H-...)
Show SMILES Cn1c2ccc(CCCCN3CCC(Cc4ccccc4)CC3)cc2sc1=O
Show InChI InChI=1S/C24H30N2OS/c1-25-22-11-10-20(18-23(22)28-24(25)27)9-5-6-14-26-15-12-21(13-16-26)17-19-7-3-2-4-8-19/h2-4,7-8,10-11,18,21H,5-6,9,12-17H2,1H3
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9n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]- pyrilamine from rat brain membrane Histamine H1 receptor


Bioorg Med Chem Lett 12: 1149-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44PM6
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50111633
PNG
(6-{4-[4-(2,4-Dichloro-benzyl)-piperazin-1-yl]-buty...)
Show SMILES Cn1c2ccc(CCCCN3CCN(Cc4ccc(Cl)cc4Cl)CC3)cc2sc1=O
Show InChI InChI=1S/C23H27Cl2N3OS/c1-26-21-8-5-17(14-22(21)30-23(26)29)4-2-3-9-27-10-12-28(13-11-27)16-18-6-7-19(24)15-20(18)25/h5-8,14-15H,2-4,9-13,16H2,1H3
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9n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
In vitro binding affinity for Sigma opioid receptor by displacement of [3H]-DTG


Bioorg Med Chem Lett 12: 1149-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44PM6
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM50111629
PNG
(6-{2-[4-(2,4-Dichloro-benzyl)-piperazin-1-yl]-ethy...)
Show SMILES Cn1c2ccc(CCN3CCN(Cc4ccc(Cl)cc4Cl)CC3)cc2sc1=O
Show InChI InChI=1S/C21H23Cl2N3OS/c1-24-19-5-2-15(12-20(19)28-21(24)27)6-7-25-8-10-26(11-9-25)14-16-3-4-17(22)13-18(16)23/h2-5,12-13H,6-11,14H2,1H3
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10n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]- pyrilamine from rat brain membrane Histamine H1 receptor


Bioorg Med Chem Lett 12: 1149-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44PM6
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50111632
PNG
(3-Methyl-6-[4-(4-phenyl-piperidin-1-yl)-butyl]-3H-...)
Show SMILES Cn1c2ccc(CCCCN3CCC(CC3)c3ccccc3)cc2sc1=O
Show InChI InChI=1S/C23H28N2OS/c1-24-21-11-10-18(17-22(21)27-23(24)26)7-5-6-14-25-15-12-20(13-16-25)19-8-3-2-4-9-19/h2-4,8-11,17,20H,5-7,12-16H2,1H3
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10n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from rat cortex membrane 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 12: 1149-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44PM6
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM50111626
PNG
(3-Methyl-6-[2-(4-phenyl-piperidin-1-yl)-ethyl]-3H-...)
Show SMILES Cn1c2ccc(CCN3CCC(CC3)c3ccccc3)cc2sc1=O
Show InChI InChI=1S/C21H24N2OS/c1-22-19-8-7-16(15-20(19)25-21(22)24)9-12-23-13-10-18(11-14-23)17-5-3-2-4-6-17/h2-8,15,18H,9-14H2,1H3
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20n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]- pyrilamine from rat brain membrane Histamine H1 receptor


Bioorg Med Chem Lett 12: 1149-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44PM6
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50111626
PNG
(3-Methyl-6-[2-(4-phenyl-piperidin-1-yl)-ethyl]-3H-...)
Show SMILES Cn1c2ccc(CCN3CCC(CC3)c3ccccc3)cc2sc1=O
Show InChI InChI=1S/C21H24N2OS/c1-22-19-8-7-16(15-20(19)25-21(22)24)9-12-23-13-10-18(11-14-23)17-5-3-2-4-6-17/h2-8,15,18H,9-14H2,1H3
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20n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for its binding affinity towards Sigma opioid receptor type 1 by using [3H]- (+)-pentazocine as radioligand


Bioorg Med Chem Lett 12: 1149-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44PM6
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50111634
PNG
(6-{2-[4-(3,4-Dichloro-benzyl)-piperazin-1-yl]-ethy...)
Show SMILES Cn1c2ccc(CCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cc2sc1=O
Show InChI InChI=1S/C21H23Cl2N3OS/c1-24-19-5-3-15(13-20(19)28-21(24)27)6-7-25-8-10-26(11-9-25)14-16-2-4-17(22)18(23)12-16/h2-5,12-13H,6-11,14H2,1H3
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30n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from rat cortex membrane 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 12: 1149-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44PM6
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50111630
PNG
(6-[4-(4-Benzyl-piperidin-1-yl)-butyl]-3-methyl-3H-...)
Show SMILES Cn1c2ccc(CCCCN3CCC(Cc4ccccc4)CC3)cc2sc1=O
Show InChI InChI=1S/C24H30N2OS/c1-25-22-11-10-20(18-23(22)28-24(25)27)9-5-6-14-26-15-12-21(13-16-26)17-19-7-3-2-4-8-19/h2-4,7-8,10-11,18,21H,5-6,9,12-17H2,1H3
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30n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from rat cortex membrane 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 12: 1149-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44PM6
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50111632
PNG
(3-Methyl-6-[4-(4-phenyl-piperidin-1-yl)-butyl]-3H-...)
Show SMILES Cn1c2ccc(CCCCN3CCC(CC3)c3ccccc3)cc2sc1=O
Show InChI InChI=1S/C23H28N2OS/c1-24-21-11-10-18(17-22(21)27-23(24)26)7-5-6-14-25-15-12-20(13-16-25)19-8-3-2-4-9-19/h2-4,8-11,17,20H,5-7,12-16H2,1H3
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30n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]- raclopride from rat striatum Dopamine receptor D2


Bioorg Med Chem Lett 12: 1149-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44PM6
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50111627
PNG
(6-[2-(4-Benzyl-piperazin-1-yl)-ethyl]-3-methyl-3H-...)
Show SMILES Cn1c2ccc(CCN3CCN(Cc4ccccc4)CC3)cc2sc1=O
Show InChI InChI=1S/C21H25N3OS/c1-22-19-8-7-17(15-20(19)26-21(22)25)9-10-23-11-13-24(14-12-23)16-18-5-3-2-4-6-18/h2-8,15H,9-14,16H2,1H3
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30n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from rat cortex membrane 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 12: 1149-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44PM6
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50111625
PNG
(6-[4-(4-Benzyl-piperazin-1-yl)-butyl]-3-methyl-3H-...)
Show SMILES Cn1c2ccc(CCCCN3CCN(Cc4ccccc4)CC3)cc2sc1=O
Show InChI InChI=1S/C23H29N3OS/c1-24-21-11-10-19(17-22(21)28-23(24)27)7-5-6-12-25-13-15-26(16-14-25)18-20-8-3-2-4-9-20/h2-4,8-11,17H,5-7,12-16,18H2,1H3
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37n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for its binding affinity towards Sigma opioid receptor type 1 by using [3H]- (+)-pentazocine as radioligand


Bioorg Med Chem Lett 12: 1149-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44PM6
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM50111634
PNG
(6-{2-[4-(3,4-Dichloro-benzyl)-piperazin-1-yl]-ethy...)
Show SMILES Cn1c2ccc(CCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cc2sc1=O
Show InChI InChI=1S/C21H23Cl2N3OS/c1-24-19-5-3-15(13-20(19)28-21(24)27)6-7-25-8-10-26(11-9-25)14-16-2-4-17(22)18(23)12-16/h2-5,12-13H,6-11,14H2,1H3
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40n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]- pyrilamine from rat brain membrane Histamine H1 receptor


Bioorg Med Chem Lett 12: 1149-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44PM6
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50111625
PNG
(6-[4-(4-Benzyl-piperazin-1-yl)-butyl]-3-methyl-3H-...)
Show SMILES Cn1c2ccc(CCCCN3CCN(Cc4ccccc4)CC3)cc2sc1=O
Show InChI InChI=1S/C23H29N3OS/c1-24-21-11-10-19(17-22(21)28-23(24)27)7-5-6-12-25-13-15-26(16-14-25)18-20-8-3-2-4-9-20/h2-4,8-11,17H,5-7,12-16,18H2,1H3
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40n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from rat cortex membrane 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 12: 1149-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44PM6
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50111630
PNG
(6-[4-(4-Benzyl-piperidin-1-yl)-butyl]-3-methyl-3H-...)
Show SMILES Cn1c2ccc(CCCCN3CCC(Cc4ccccc4)CC3)cc2sc1=O
Show InChI InChI=1S/C24H30N2OS/c1-25-22-11-10-20(18-23(22)28-24(25)27)9-5-6-14-26-15-12-21(13-16-26)17-19-7-3-2-4-8-19/h2-4,7-8,10-11,18,21H,5-6,9,12-17H2,1H3
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100n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]- raclopride from rat striatum Dopamine receptor D2


Bioorg Med Chem Lett 12: 1149-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44PM6
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM50111625
PNG
(6-[4-(4-Benzyl-piperazin-1-yl)-butyl]-3-methyl-3H-...)
Show SMILES Cn1c2ccc(CCCCN3CCN(Cc4ccccc4)CC3)cc2sc1=O
Show InChI InChI=1S/C23H29N3OS/c1-24-21-11-10-19(17-22(21)28-23(24)27)7-5-6-12-25-13-15-26(16-14-25)18-20-8-3-2-4-9-20/h2-4,8-11,17H,5-7,12-16,18H2,1H3
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<100n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from rat cortex 5-HT3 receptor


Bioorg Med Chem Lett 12: 1149-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44PM6
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50111626
PNG
(3-Methyl-6-[2-(4-phenyl-piperidin-1-yl)-ethyl]-3H-...)
Show SMILES Cn1c2ccc(CCN3CCC(CC3)c3ccccc3)cc2sc1=O
Show InChI InChI=1S/C21H24N2OS/c1-22-19-8-7-16(15-20(19)25-21(22)24)9-12-23-13-10-18(11-14-23)17-5-3-2-4-6-17/h2-8,15,18H,9-14H2,1H3
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100n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from rat hippocampus membrane 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 12: 1149-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44PM6
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50111629
PNG
(6-{2-[4-(2,4-Dichloro-benzyl)-piperazin-1-yl]-ethy...)
Show SMILES Cn1c2ccc(CCN3CCN(Cc4ccc(Cl)cc4Cl)CC3)cc2sc1=O
Show InChI InChI=1S/C21H23Cl2N3OS/c1-24-19-5-2-15(12-20(19)28-21(24)27)6-7-25-8-10-26(11-9-25)14-16-3-4-17(22)13-18(16)23/h2-5,12-13H,6-11,14H2,1H3
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100n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]- raclopride from rat striatum Dopamine receptor D2


Bioorg Med Chem Lett 12: 1149-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44PM6
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50111624
PNG
(6-[4-((3R,5S)-3,5-Dimethyl-piperazin-1-yl)-butyl]-...)
Show SMILES C[C@H]1CN(CCCCc2ccc3n(C)c(=O)sc3c2)C[C@@H](C)N1
Show InChI InChI=1S/C18H27N3OS/c1-13-11-21(12-14(2)19-13)9-5-4-6-15-7-8-16-17(10-15)23-18(22)20(16)3/h7-8,10,13-14,19H,4-6,9,11-12H2,1-3H3/t13-,14+
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100n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
In vitro binding affinity for Sigma opioid receptor by displacement of [3H]-DTG


Bioorg Med Chem Lett 12: 1149-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44PM6
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50111633
PNG
(6-{4-[4-(2,4-Dichloro-benzyl)-piperazin-1-yl]-buty...)
Show SMILES Cn1c2ccc(CCCCN3CCN(Cc4ccc(Cl)cc4Cl)CC3)cc2sc1=O
Show InChI InChI=1S/C23H27Cl2N3OS/c1-26-21-8-5-17(14-22(21)30-23(26)29)4-2-3-9-27-10-12-28(13-11-27)16-18-6-7-19(24)15-20(18)25/h5-8,14-15H,2-4,9-13,16H2,1H3
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100n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]- raclopride from rat striatum Dopamine receptor D2


Bioorg Med Chem Lett 12: 1149-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44PM6
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM50111633
PNG
(6-{4-[4-(2,4-Dichloro-benzyl)-piperazin-1-yl]-buty...)
Show SMILES Cn1c2ccc(CCCCN3CCN(Cc4ccc(Cl)cc4Cl)CC3)cc2sc1=O
Show InChI InChI=1S/C23H27Cl2N3OS/c1-26-21-8-5-17(14-22(21)30-23(26)29)4-2-3-9-27-10-12-28(13-11-27)16-18-6-7-19(24)15-20(18)25/h5-8,14-15H,2-4,9-13,16H2,1H3
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<100n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from rat cortex 5-HT3 receptor


Bioorg Med Chem Lett 12: 1149-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44PM6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50111631
PNG
(6-[2-(4-Benzyl-piperidin-1-yl)-ethyl]-3-methyl-3H-...)
Show SMILES Cn1c2ccc(CCN3CCC(Cc4ccccc4)CC3)cc2sc1=O
Show InChI InChI=1S/C22H26N2OS/c1-23-20-8-7-18(16-21(20)26-22(23)25)9-12-24-13-10-19(11-14-24)15-17-5-3-2-4-6-17/h2-8,16,19H,9-15H2,1H3
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100n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for its binding affinity towards Muscarinic acetylcholine receptor M1 by displacing [3H]- telenzepine from rat brain ...


Bioorg Med Chem Lett 12: 1149-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44PM6
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50111628
PNG
(6-{4-[4-(3,4-Dichloro-benzyl)-piperazin-1-yl]-buty...)
Show SMILES Cn1c2ccc(CCCCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cc2sc1=O
Show InChI InChI=1S/C23H27Cl2N3OS/c1-26-21-8-6-17(15-22(21)30-23(26)29)4-2-3-9-27-10-12-28(13-11-27)16-18-5-7-19(24)20(25)14-18/h5-8,14-15H,2-4,9-13,16H2,1H3
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100n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]- raclopride from rat striatum Dopamine receptor D2


Bioorg Med Chem Lett 12: 1149-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44PM6
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50111631
PNG
(6-[2-(4-Benzyl-piperidin-1-yl)-ethyl]-3-methyl-3H-...)
Show SMILES Cn1c2ccc(CCN3CCC(Cc4ccccc4)CC3)cc2sc1=O
Show InChI InChI=1S/C22H26N2OS/c1-23-20-8-7-18(16-21(20)26-22(23)25)9-12-24-13-10-19(11-14-24)15-17-5-3-2-4-6-17/h2-8,16,19H,9-15H2,1H3
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>100n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]- raclopride from rat striatum Dopamine receptor D2


Bioorg Med Chem Lett 12: 1149-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44PM6
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50111629
PNG
(6-{2-[4-(2,4-Dichloro-benzyl)-piperazin-1-yl]-ethy...)
Show SMILES Cn1c2ccc(CCN3CCN(Cc4ccc(Cl)cc4Cl)CC3)cc2sc1=O
Show InChI InChI=1S/C21H23Cl2N3OS/c1-24-19-5-2-15(12-20(19)28-21(24)27)6-7-25-8-10-26(11-9-25)14-16-3-4-17(22)13-18(16)23/h2-5,12-13H,6-11,14H2,1H3
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100n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from rat cortex membrane 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 12: 1149-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44PM6
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50111628
PNG
(6-{4-[4-(3,4-Dichloro-benzyl)-piperazin-1-yl]-buty...)
Show SMILES Cn1c2ccc(CCCCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cc2sc1=O
Show InChI InChI=1S/C23H27Cl2N3OS/c1-26-21-8-6-17(15-22(21)30-23(26)29)4-2-3-9-27-10-12-28(13-11-27)16-18-5-7-19(24)20(25)14-18/h5-8,14-15H,2-4,9-13,16H2,1H3
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139n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL




Bioorg Med Chem Lett 12: 1149-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44PM6
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50111634
PNG
(6-{2-[4-(3,4-Dichloro-benzyl)-piperazin-1-yl]-ethy...)
Show SMILES Cn1c2ccc(CCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cc2sc1=O
Show InChI InChI=1S/C21H23Cl2N3OS/c1-24-19-5-3-15(13-20(19)28-21(24)27)6-7-25-8-10-26(11-9-25)14-16-2-4-17(22)18(23)12-16/h2-5,12-13H,6-11,14H2,1H3
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200n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]- raclopride from rat striatum Dopamine receptor D2


Bioorg Med Chem Lett 12: 1149-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44PM6
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50111633
PNG
(6-{4-[4-(2,4-Dichloro-benzyl)-piperazin-1-yl]-buty...)
Show SMILES Cn1c2ccc(CCCCN3CCN(Cc4ccc(Cl)cc4Cl)CC3)cc2sc1=O
Show InChI InChI=1S/C23H27Cl2N3OS/c1-26-21-8-5-17(14-22(21)30-23(26)29)4-2-3-9-27-10-12-28(13-11-27)16-18-6-7-19(24)15-20(18)25/h5-8,14-15H,2-4,9-13,16H2,1H3
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200n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from rat cortex membrane 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 12: 1149-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44PM6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50111630
PNG
(6-[4-(4-Benzyl-piperidin-1-yl)-butyl]-3-methyl-3H-...)
Show SMILES Cn1c2ccc(CCCCN3CCC(Cc4ccccc4)CC3)cc2sc1=O
Show InChI InChI=1S/C24H30N2OS/c1-25-22-11-10-20(18-23(22)28-24(25)27)9-5-6-14-26-15-12-21(13-16-26)17-19-7-3-2-4-8-19/h2-4,7-8,10-11,18,21H,5-6,9,12-17H2,1H3
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200n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for its binding affinity towards Muscarinic acetylcholine receptor M1 by displacing [3H]- pyrilamine from rat brain m...


Bioorg Med Chem Lett 12: 1149-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44PM6
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50111628
PNG
(6-{4-[4-(3,4-Dichloro-benzyl)-piperazin-1-yl]-buty...)
Show SMILES Cn1c2ccc(CCCCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cc2sc1=O
Show InChI InChI=1S/C23H27Cl2N3OS/c1-26-21-8-6-17(15-22(21)30-23(26)29)4-2-3-9-27-10-12-28(13-11-27)16-18-5-7-19(24)20(25)14-18/h5-8,14-15H,2-4,9-13,16H2,1H3
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300n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from rat cortex membrane 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 12: 1149-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44PM6
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50111632
PNG
(3-Methyl-6-[4-(4-phenyl-piperidin-1-yl)-butyl]-3H-...)
Show SMILES Cn1c2ccc(CCCCN3CCC(CC3)c3ccccc3)cc2sc1=O
Show InChI InChI=1S/C23H28N2OS/c1-24-21-11-10-18(17-22(21)27-23(24)26)7-5-6-14-25-15-12-20(13-16-25)19-8-3-2-4-9-19/h2-4,8-11,17,20H,5-7,12-16H2,1H3
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400n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from rat hippocampus membrane 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 12: 1149-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44PM6
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50111631
PNG
(6-[2-(4-Benzyl-piperidin-1-yl)-ethyl]-3-methyl-3H-...)
Show SMILES Cn1c2ccc(CCN3CCC(Cc4ccccc4)CC3)cc2sc1=O
Show InChI InChI=1S/C22H26N2OS/c1-23-20-8-7-18(16-21(20)26-22(23)25)9-12-24-13-10-19(11-14-24)15-17-5-3-2-4-6-17/h2-8,16,19H,9-15H2,1H3
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400n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from rat hippocampus membrane 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 12: 1149-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44PM6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50111627
PNG
(6-[2-(4-Benzyl-piperazin-1-yl)-ethyl]-3-methyl-3H-...)
Show SMILES Cn1c2ccc(CCN3CCN(Cc4ccccc4)CC3)cc2sc1=O
Show InChI InChI=1S/C21H25N3OS/c1-22-19-8-7-17(15-20(19)26-21(22)25)9-10-23-11-13-24(14-12-23)16-18-5-3-2-4-6-18/h2-8,15H,9-14,16H2,1H3
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500n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for its binding affinity towards Muscarinic acetylcholine receptor M1 by displacing [3H]- telenzepine from rat brain ...


Bioorg Med Chem Lett 12: 1149-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44PM6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50111628
PNG
(6-{4-[4-(3,4-Dichloro-benzyl)-piperazin-1-yl]-buty...)
Show SMILES Cn1c2ccc(CCCCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cc2sc1=O
Show InChI InChI=1S/C23H27Cl2N3OS/c1-26-21-8-6-17(15-22(21)30-23(26)29)4-2-3-9-27-10-12-28(13-11-27)16-18-5-7-19(24)20(25)14-18/h5-8,14-15H,2-4,9-13,16H2,1H3
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500n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for its binding affinity towards Muscarinic acetylcholine receptor M1 by displacing [3H]- telenzepine from rat brain ...


Bioorg Med Chem Lett 12: 1149-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44PM6
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50111630
PNG
(6-[4-(4-Benzyl-piperidin-1-yl)-butyl]-3-methyl-3H-...)
Show SMILES Cn1c2ccc(CCCCN3CCC(Cc4ccccc4)CC3)cc2sc1=O
Show InChI InChI=1S/C24H30N2OS/c1-25-22-11-10-20(18-23(22)28-24(25)27)9-5-6-14-26-15-12-21(13-16-26)17-19-7-3-2-4-8-19/h2-4,7-8,10-11,18,21H,5-6,9,12-17H2,1H3
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700n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from rat hippocampus membrane 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 12: 1149-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44PM6
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50111633
PNG
(6-{4-[4-(2,4-Dichloro-benzyl)-piperazin-1-yl]-buty...)
Show SMILES Cn1c2ccc(CCCCN3CCN(Cc4ccc(Cl)cc4Cl)CC3)cc2sc1=O
Show InChI InChI=1S/C23H27Cl2N3OS/c1-26-21-8-5-17(14-22(21)30-23(26)29)4-2-3-9-27-10-12-28(13-11-27)16-18-6-7-19(24)15-20(18)25/h5-8,14-15H,2-4,9-13,16H2,1H3
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900n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from rat hippocampus membrane 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 12: 1149-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44PM6
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50111625
PNG
(6-[4-(4-Benzyl-piperazin-1-yl)-butyl]-3-methyl-3H-...)
Show SMILES Cn1c2ccc(CCCCN3CCN(Cc4ccccc4)CC3)cc2sc1=O
Show InChI InChI=1S/C23H29N3OS/c1-24-21-11-10-19(17-22(21)28-23(24)27)7-5-6-12-25-13-15-26(16-14-25)18-20-8-3-2-4-9-20/h2-4,8-11,17H,5-7,12-16,18H2,1H3
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900n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from rat hippocampus membrane 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 12: 1149-52 (2002)


BindingDB Entry DOI: 10.7270/Q2G44PM6
More data for this
Ligand-Target Pair
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