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BDBM21372 6-(4-phenylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide::CHEMBL222188::Piperazinehexanamide derivative, 10

SMILES: O=C(CCCCCN1CCN(CC1)c1ccccc1)NC1CCCc2ccccc12

InChI Key: InChIKey=OPNMLXKOFJADTH-UHFFFAOYSA-N

Data: 7 KI

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 7 hits for monomerid = 21372   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21372
PNG
(6-(4-phenylpiperazin-1-yl)-N-(1,2,3,4-tetrahydrona...)
Show SMILES O=C(CCCCCN1CCN(CC1)c1ccccc1)NC1CCCc2ccccc12
Show InChI InChI=1S/C26H35N3O/c30-26(27-25-15-9-11-22-10-6-7-14-24(22)25)16-5-2-8-17-28-18-20-29(21-19-28)23-12-3-1-4-13-23/h1,3-4,6-7,10,12-14,25H,2,5,8-9,11,15-21H2,(H,27,30)
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Article
PubMed
65.6 -10.2n/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))
BDBM21372
PNG
(6-(4-phenylpiperazin-1-yl)-N-(1,2,3,4-tetrahydrona...)
Show SMILES O=C(CCCCCN1CCN(CC1)c1ccccc1)NC1CCCc2ccccc12
Show InChI InChI=1S/C26H35N3O/c30-26(27-25-15-9-11-22-10-6-7-14-24(22)25)16-5-2-8-17-28-18-20-29(21-19-28)23-12-3-1-4-13-23/h1,3-4,6-7,10,12-14,25H,2,5,8-9,11,15-21H2,(H,27,30)
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65.6n/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
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM21372
PNG
(6-(4-phenylpiperazin-1-yl)-N-(1,2,3,4-tetrahydrona...)
Show SMILES O=C(CCCCCN1CCN(CC1)c1ccccc1)NC1CCCc2ccccc12
Show InChI InChI=1S/C26H35N3O/c30-26(27-25-15-9-11-22-10-6-7-14-24(22)25)16-5-2-8-17-28-18-20-29(21-19-28)23-12-3-1-4-13-23/h1,3-4,6-7,10,12-14,25H,2,5,8-9,11,15-21H2,(H,27,30)
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Article
PubMed
77.8n/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))
BDBM21372
PNG
(6-(4-phenylpiperazin-1-yl)-N-(1,2,3,4-tetrahydrona...)
Show SMILES O=C(CCCCCN1CCN(CC1)c1ccccc1)NC1CCCc2ccccc12
Show InChI InChI=1S/C26H35N3O/c30-26(27-25-15-9-11-22-10-6-7-14-24(22)25)16-5-2-8-17-28-18-20-29(21-19-28)23-12-3-1-4-13-23/h1,3-4,6-7,10,12-14,25H,2,5,8-9,11,15-21H2,(H,27,30)
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77.8n/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 1A


(Homo sapiens (Human))
BDBM21372
PNG
(6-(4-phenylpiperazin-1-yl)-N-(1,2,3,4-tetrahydrona...)
Show SMILES O=C(CCCCCN1CCN(CC1)c1ccccc1)NC1CCCc2ccccc12
Show InChI InChI=1S/C26H35N3O/c30-26(27-25-15-9-11-22-10-6-7-14-24(22)25)16-5-2-8-17-28-18-20-29(21-19-28)23-12-3-1-4-13-23/h1,3-4,6-7,10,12-14,25H,2,5,8-9,11,15-21H2,(H,27,30)
PDB

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Article
PubMed
128n/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


(Rattus norvegicus (rat))
BDBM21372
PNG
(6-(4-phenylpiperazin-1-yl)-N-(1,2,3,4-tetrahydrona...)
Show SMILES O=C(CCCCCN1CCN(CC1)c1ccccc1)NC1CCCc2ccccc12
Show InChI InChI=1S/C26H35N3O/c30-26(27-25-15-9-11-22-10-6-7-14-24(22)25)16-5-2-8-17-28-18-20-29(21-19-28)23-12-3-1-4-13-23/h1,3-4,6-7,10,12-14,25H,2,5,8-9,11,15-21H2,(H,27,30)
PDB

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UniChem

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Article
PubMed
128n/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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21372
PNG
(6-(4-phenylpiperazin-1-yl)-N-(1,2,3,4-tetrahydrona...)
Show SMILES O=C(CCCCCN1CCN(CC1)c1ccccc1)NC1CCCc2ccccc12
Show InChI InChI=1S/C26H35N3O/c30-26(27-25-15-9-11-22-10-6-7-14-24(22)25)16-5-2-8-17-28-18-20-29(21-19-28)23-12-3-1-4-13-23/h1,3-4,6-7,10,12-14,25H,2,5,8-9,11,15-21H2,(H,27,30)
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Article
PubMed
1.00E+3n/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