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BDBM21370 6-[4-(2-acetylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide::CHEMBL389718::Piperazinehexanamide derivative, 8

SMILES: CC(=O)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1

InChI Key: InChIKey=NTIASQFANBLTMM-UHFFFAOYSA-N

Data: 7 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 8 hits for monomerid = 21370   
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 1A


(Rattus norvegicus (rat))
BDBM21370
PNG
(6-[4-(2-acetylphenyl)piperazin-1-yl]-N-(1,2,3,4-te...)
Show SMILES CC(=O)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C28H37N3O2/c1-22(32)24-12-6-7-15-27(24)31-20-18-30(19-21-31)17-8-2-3-16-28(33)29-26-14-9-11-23-10-4-5-13-25(23)26/h4-7,10,12-13,15,26H,2-3,8-9,11,14,16-21H2,1H3,(H,29,33)
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Article
PubMed
3.80n/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


(Homo sapiens (Human))
BDBM21370
PNG
(6-[4-(2-acetylphenyl)piperazin-1-yl]-N-(1,2,3,4-te...)
Show SMILES CC(=O)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C28H37N3O2/c1-22(32)24-12-6-7-15-27(24)31-20-18-30(19-21-31)17-8-2-3-16-28(33)29-26-14-9-11-23-10-4-5-13-25(23)26/h4-7,10,12-13,15,26H,2-3,8-9,11,14,16-21H2,1H3,(H,29,33)
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3.85n/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))
BDBM21370
PNG
(6-[4-(2-acetylphenyl)piperazin-1-yl]-N-(1,2,3,4-te...)
Show SMILES CC(=O)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C28H37N3O2/c1-22(32)24-12-6-7-15-27(24)31-20-18-30(19-21-31)17-8-2-3-16-28(33)29-26-14-9-11-23-10-4-5-13-25(23)26/h4-7,10,12-13,15,26H,2-3,8-9,11,14,16-21H2,1H3,(H,29,33)
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4.14 -11.9n/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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21370
PNG
(6-[4-(2-acetylphenyl)piperazin-1-yl]-N-(1,2,3,4-te...)
Show SMILES CC(=O)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C28H37N3O2/c1-22(32)24-12-6-7-15-27(24)31-20-18-30(19-21-31)17-8-2-3-16-28(33)29-26-14-9-11-23-10-4-5-13-25(23)26/h4-7,10,12-13,15,26H,2-3,8-9,11,14,16-21H2,1H3,(H,29,33)
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4.14n/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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21370
PNG
(6-[4-(2-acetylphenyl)piperazin-1-yl]-N-(1,2,3,4-te...)
Show SMILES CC(=O)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C28H37N3O2/c1-22(32)24-12-6-7-15-27(24)31-20-18-30(19-21-31)17-8-2-3-16-28(33)29-26-14-9-11-23-10-4-5-13-25(23)26/h4-7,10,12-13,15,26H,2-3,8-9,11,14,16-21H2,1H3,(H,29,33)
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Article
PubMed
68n/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 2A


(Rattus norvegicus (rat))
BDBM21370
PNG
(6-[4-(2-acetylphenyl)piperazin-1-yl]-N-(1,2,3,4-te...)
Show SMILES CC(=O)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C28H37N3O2/c1-22(32)24-12-6-7-15-27(24)31-20-18-30(19-21-31)17-8-2-3-16-28(33)29-26-14-9-11-23-10-4-5-13-25(23)26/h4-7,10,12-13,15,26H,2-3,8-9,11,14,16-21H2,1H3,(H,29,33)
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1.22E+4n/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 2A


(Rattus norvegicus (rat))
BDBM21370
PNG
(6-[4-(2-acetylphenyl)piperazin-1-yl]-N-(1,2,3,4-te...)
Show SMILES CC(=O)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C28H37N3O2/c1-22(32)24-12-6-7-15-27(24)31-20-18-30(19-21-31)17-8-2-3-16-28(33)29-26-14-9-11-23-10-4-5-13-25(23)26/h4-7,10,12-13,15,26H,2-3,8-9,11,14,16-21H2,1H3,(H,29,33)
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1.22E+4n/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


(Homo sapiens (Human))
BDBM21370
PNG
(6-[4-(2-acetylphenyl)piperazin-1-yl]-N-(1,2,3,4-te...)
Show SMILES CC(=O)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C28H37N3O2/c1-22(32)24-12-6-7-15-27(24)31-20-18-30(19-21-31)17-8-2-3-16-28(33)29-26-14-9-11-23-10-4-5-13-25(23)26/h4-7,10,12-13,15,26H,2-3,8-9,11,14,16-21H2,1H3,(H,29,33)
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n/an/an/an/a 2.46E+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