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BDBM21367 6-{4-[2-(methylsulfanyl)phenyl]piperazin-1-yl}-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide::CHEMBL225284::LP-44::Piperazinehexanamide derivative, 5

SMILES: CSc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1

InChI Key: InChIKey=JNBBJUHCODFLEG-UHFFFAOYSA-N

Data: 14 KI  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 21367   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM21367
PNG
(6-{4-[2-(methylsulfanyl)phenyl]piperazin-1-yl}-N-(...)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C27H37N3OS/c1-32-26-15-7-6-14-25(26)30-20-18-29(19-21-30)17-8-2-3-16-27(31)28-24-13-9-11-22-10-4-5-12-23(22)24/h4-7,10,12,14-15,24H,2-3,8-9,11,13,16-21H2,1H3,(H,28,31)
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0.220n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT7 receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometry


Eur J Med Chem 85: 716-26 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.023
BindingDB Entry DOI: 10.7270/Q2DZ09Z8
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21367
PNG
(6-{4-[2-(methylsulfanyl)phenyl]piperazin-1-yl}-N-(...)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C27H37N3OS/c1-32-26-15-7-6-14-25(26)30-20-18-29(19-21-30)17-8-2-3-16-27(31)28-24-13-9-11-22-10-4-5-12-23(22)24/h4-7,10,12,14-15,24H,2-3,8-9,11,13,16-21H2,1H3,(H,28,31)
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0.220 -13.7n/an/an/an/an/a7.437



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM21367
PNG
(6-{4-[2-(methylsulfanyl)phenyl]piperazin-1-yl}-N-(...)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C27H37N3OS/c1-32-26-15-7-6-14-25(26)30-20-18-29(19-21-30)17-8-2-3-16-27(31)28-24-13-9-11-22-10-4-5-12-23(22)24/h4-7,10,12,14-15,24H,2-3,8-9,11,13,16-21H2,1H3,(H,28,31)
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0.220n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5HT7 receptor expressed in HEK293 cells after 1 hr


Eur J Med Chem 92: 202-11 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.041
BindingDB Entry DOI: 10.7270/Q2TT4SNW
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21367
PNG
(6-{4-[2-(methylsulfanyl)phenyl]piperazin-1-yl}-N-(...)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C27H37N3OS/c1-32-26-15-7-6-14-25(26)30-20-18-29(19-21-30)17-8-2-3-16-27(31)28-24-13-9-11-22-10-4-5-12-23(22)24/h4-7,10,12,14-15,24H,2-3,8-9,11,13,16-21H2,1H3,(H,28,31)
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0.220n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from rat recombinant 5HT7 receptor expressed in HEK293 cells


J Med Chem 47: 6616-24 (2004)


Article DOI: 10.1021/jm049702f
BindingDB Entry DOI: 10.7270/Q2RX9BKX
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21367
PNG
(6-{4-[2-(methylsulfanyl)phenyl]piperazin-1-yl}-N-(...)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C27H37N3OS/c1-32-26-15-7-6-14-25(26)30-20-18-29(19-21-30)17-8-2-3-16-27(31)28-24-13-9-11-22-10-4-5-12-23(22)24/h4-7,10,12,14-15,24H,2-3,8-9,11,13,16-21H2,1H3,(H,28,31)
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0.220n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged KDM4B (1 to 500 residues) expressed in baculovirus infected sf9 cells using biotin-H3K9me3 as s...


J Med Chem 59: 810-40 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5X8K
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM21367
PNG
(6-{4-[2-(methylsulfanyl)phenyl]piperazin-1-yl}-N-(...)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C27H37N3OS/c1-32-26-15-7-6-14-25(26)30-20-18-29(19-21-30)17-8-2-3-16-27(31)28-24-13-9-11-22-10-4-5-12-23(22)24/h4-7,10,12,14-15,24H,2-3,8-9,11,13,16-21H2,1H3,(H,28,31)
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0.220n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7 receptor expressed in HEK293 cells after 1 hr by beta-counting


Eur J Med Chem 78: 10-22 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.005
BindingDB Entry DOI: 10.7270/Q2QN6899
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21367
PNG
(6-{4-[2-(methylsulfanyl)phenyl]piperazin-1-yl}-N-(...)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C27H37N3OS/c1-32-26-15-7-6-14-25(26)30-20-18-29(19-21-30)17-8-2-3-16-27(31)28-24-13-9-11-22-10-4-5-12-23(22)24/h4-7,10,12,14-15,24H,2-3,8-9,11,13,16-21H2,1H3,(H,28,31)
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7.30n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21367
PNG
(6-{4-[2-(methylsulfanyl)phenyl]piperazin-1-yl}-N-(...)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C27H37N3OS/c1-32-26-15-7-6-14-25(26)30-20-18-29(19-21-30)17-8-2-3-16-27(31)28-24-13-9-11-22-10-4-5-12-23(22)24/h4-7,10,12,14-15,24H,2-3,8-9,11,13,16-21H2,1H3,(H,28,31)
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52.7n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in Wistar Han rat hippocampal membranes


J Med Chem 47: 6616-24 (2004)


Article DOI: 10.1021/jm049702f
BindingDB Entry DOI: 10.7270/Q2RX9BKX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM21367
PNG
(6-{4-[2-(methylsulfanyl)phenyl]piperazin-1-yl}-N-(...)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C27H37N3OS/c1-32-26-15-7-6-14-25(26)30-20-18-29(19-21-30)17-8-2-3-16-27(31)28-24-13-9-11-22-10-4-5-12-23(22)24/h4-7,10,12,14-15,24H,2-3,8-9,11,13,16-21H2,1H3,(H,28,31)
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52.7n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM21367
PNG
(6-{4-[2-(methylsulfanyl)phenyl]piperazin-1-yl}-N-(...)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C27H37N3OS/c1-32-26-15-7-6-14-25(26)30-20-18-29(19-21-30)17-8-2-3-16-27(31)28-24-13-9-11-22-10-4-5-12-23(22)24/h4-7,10,12,14-15,24H,2-3,8-9,11,13,16-21H2,1H3,(H,28,31)
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53n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells after 1 hr by beta-counting


Eur J Med Chem 78: 10-22 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.005
BindingDB Entry DOI: 10.7270/Q2QN6899
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM21367
PNG
(6-{4-[2-(methylsulfanyl)phenyl]piperazin-1-yl}-N-(...)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C27H37N3OS/c1-32-26-15-7-6-14-25(26)30-20-18-29(19-21-30)17-8-2-3-16-27(31)28-24-13-9-11-22-10-4-5-12-23(22)24/h4-7,10,12,14-15,24H,2-3,8-9,11,13,16-21H2,1H3,(H,28,31)
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53n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells after 1 hr


Eur J Med Chem 92: 202-11 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.041
BindingDB Entry DOI: 10.7270/Q2TT4SNW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM21367
PNG
(6-{4-[2-(methylsulfanyl)phenyl]piperazin-1-yl}-N-(...)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C27H37N3OS/c1-32-26-15-7-6-14-25(26)30-20-18-29(19-21-30)17-8-2-3-16-27(31)28-24-13-9-11-22-10-4-5-12-23(22)24/h4-7,10,12,14-15,24H,2-3,8-9,11,13,16-21H2,1H3,(H,28,31)
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53n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometry


Eur J Med Chem 85: 716-26 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.023
BindingDB Entry DOI: 10.7270/Q2DZ09Z8
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21367
PNG
(6-{4-[2-(methylsulfanyl)phenyl]piperazin-1-yl}-N-(...)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C27H37N3OS/c1-32-26-15-7-6-14-25(26)30-20-18-29(19-21-30)17-8-2-3-16-27(31)28-24-13-9-11-22-10-4-5-12-23(22)24/h4-7,10,12,14-15,24H,2-3,8-9,11,13,16-21H2,1H3,(H,28,31)
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326n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21367
PNG
(6-{4-[2-(methylsulfanyl)phenyl]piperazin-1-yl}-N-(...)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C27H37N3OS/c1-32-26-15-7-6-14-25(26)30-20-18-29(19-21-30)17-8-2-3-16-27(31)28-24-13-9-11-22-10-4-5-12-23(22)24/h4-7,10,12,14-15,24H,2-3,8-9,11,13,16-21H2,1H3,(H,28,31)
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326n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in Wistar Han rat cortex membranes


J Med Chem 47: 6616-24 (2004)


Article DOI: 10.1021/jm049702f
BindingDB Entry DOI: 10.7270/Q2RX9BKX
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM21367
PNG
(6-{4-[2-(methylsulfanyl)phenyl]piperazin-1-yl}-N-(...)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C27H37N3OS/c1-32-26-15-7-6-14-25(26)30-20-18-29(19-21-30)17-8-2-3-16-27(31)28-24-13-9-11-22-10-4-5-12-23(22)24/h4-7,10,12,14-15,24H,2-3,8-9,11,13,16-21H2,1H3,(H,28,31)
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n/an/an/an/a 2.56E+3n/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Activity at 5HT7 receptor assessed as relaxation of substance P-induced contraction of Dunkin-Hartley guinea pig ileum


J Med Chem 47: 6616-24 (2004)


Article DOI: 10.1021/jm049702f
BindingDB Entry DOI: 10.7270/Q2RX9BKX
More data for this
Ligand-Target Pair