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BDBM50261126 CHEMBL497749::N-(3-(4-(2-methoxyphenyl)piperazin-1-yl)propyl)naphthalene-2-sulfonamide::Naphthalene-2-sulfonic acid {3-[4-(2-methoxyphenyl)-piperazin-1-yl]-propyl}-amide

SMILES: COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1

InChI Key: InChIKey=YRVKJIDCHIEELY-UHFFFAOYSA-N

Data: 7 KI  5 IC50

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 12 hits for monomerid = 50261126   
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))
BDBM50261126
PNG
(CHEMBL497749 | N-(3-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C24H29N3O3S/c1-30-24-10-5-4-9-23(24)27-17-15-26(16-18-27)14-6-13-25-31(28,29)22-12-11-20-7-2-3-8-21(20)19-22/h2-5,7-12,19,25H,6,13-18H2,1H3
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4.60n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor in rat hippocampus


Bioorg Med Chem Lett 19: 4827-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.038
BindingDB Entry DOI: 10.7270/Q20G3M3C
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50261126
PNG
(CHEMBL497749 | N-(3-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C24H29N3O3S/c1-30-24-10-5-4-9-23(24)27-17-15-26(16-18-27)14-6-13-25-31(28,29)22-12-11-20-7-2-3-8-21(20)19-22/h2-5,7-12,19,25H,6,13-18H2,1H3
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4.64n/an/an/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]MK912 from human alpha2A receptor after 60 mins


Bioorg Med Chem Lett 20: 5199-202 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.002
BindingDB Entry DOI: 10.7270/Q2445MPJ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50261126
PNG
(CHEMBL497749 | N-(3-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C24H29N3O3S/c1-30-24-10-5-4-9-23(24)27-17-15-26(16-18-27)14-6-13-25-31(28,29)22-12-11-20-7-2-3-8-21(20)19-22/h2-5,7-12,19,25H,6,13-18H2,1H3
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20n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Binding affinity to human cloned 5HT7 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 4827-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.038
BindingDB Entry DOI: 10.7270/Q20G3M3C
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50261126
PNG
(CHEMBL497749 | N-(3-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C24H29N3O3S/c1-30-24-10-5-4-9-23(24)27-17-15-26(16-18-27)14-6-13-25-31(28,29)22-12-11-20-7-2-3-8-21(20)19-22/h2-5,7-12,19,25H,6,13-18H2,1H3
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85n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor in rat cortex


Bioorg Med Chem Lett 19: 4827-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.038
BindingDB Entry DOI: 10.7270/Q20G3M3C
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50261126
PNG
(CHEMBL497749 | N-(3-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C24H29N3O3S/c1-30-24-10-5-4-9-23(24)27-17-15-26(16-18-27)14-6-13-25-31(28,29)22-12-11-20-7-2-3-8-21(20)19-22/h2-5,7-12,19,25H,6,13-18H2,1H3
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101n/an/an/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat dopamine D3 receptor after 60 mins


Bioorg Med Chem Lett 20: 5199-202 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.002
BindingDB Entry DOI: 10.7270/Q2445MPJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50261126
PNG
(CHEMBL497749 | N-(3-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C24H29N3O3S/c1-30-24-10-5-4-9-23(24)27-17-15-26(16-18-27)14-6-13-25-31(28,29)22-12-11-20-7-2-3-8-21(20)19-22/h2-5,7-12,19,25H,6,13-18H2,1H3
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112n/an/an/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]8OH-DPAT from human 5HT1A receptor after 60 mins


Bioorg Med Chem Lett 20: 5199-202 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.002
BindingDB Entry DOI: 10.7270/Q2445MPJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50261126
PNG
(CHEMBL497749 | N-(3-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C24H29N3O3S/c1-30-24-10-5-4-9-23(24)27-17-15-26(16-18-27)14-6-13-25-31(28,29)22-12-11-20-7-2-3-8-21(20)19-22/h2-5,7-12,19,25H,6,13-18H2,1H3
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132n/an/an/an/an/an/an/an/a



University of Liège

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2L receptor after 60 mins


Bioorg Med Chem Lett 20: 5199-202 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.002
BindingDB Entry DOI: 10.7270/Q2445MPJ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50261126
PNG
(CHEMBL497749 | N-(3-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C24H29N3O3S/c1-30-24-10-5-4-9-23(24)27-17-15-26(16-18-27)14-6-13-25-31(28,29)22-12-11-20-7-2-3-8-21(20)19-22/h2-5,7-12,19,25H,6,13-18H2,1H3
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n/an/a 241n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human recombinant 5HT2C receptor expressed in CHOK1 cell membrane


Bioorg Med Chem 16: 5405-12 (2008)


Article DOI: 10.1016/j.bmc.2008.04.023
BindingDB Entry DOI: 10.7270/Q2RX9BVH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50261126
PNG
(CHEMBL497749 | N-(3-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C24H29N3O3S/c1-30-24-10-5-4-9-23(24)27-17-15-26(16-18-27)14-6-13-25-31(28,29)22-12-11-20-7-2-3-8-21(20)19-22/h2-5,7-12,19,25H,6,13-18H2,1H3
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n/an/a 85n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in CHOK1 cell membrane


Bioorg Med Chem 16: 5405-12 (2008)


Article DOI: 10.1016/j.bmc.2008.04.023
BindingDB Entry DOI: 10.7270/Q2RX9BVH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50261126
PNG
(CHEMBL497749 | N-(3-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C24H29N3O3S/c1-30-24-10-5-4-9-23(24)27-17-15-26(16-18-27)14-6-13-25-31(28,29)22-12-11-20-7-2-3-8-21(20)19-22/h2-5,7-12,19,25H,6,13-18H2,1H3
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n/an/a 4.60n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in CHOK1 cell membrane


Bioorg Med Chem 16: 5405-12 (2008)


Article DOI: 10.1016/j.bmc.2008.04.023
BindingDB Entry DOI: 10.7270/Q2RX9BVH
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50261126
PNG
(CHEMBL497749 | N-(3-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C24H29N3O3S/c1-30-24-10-5-4-9-23(24)27-17-15-26(16-18-27)14-6-13-25-31(28,29)22-12-11-20-7-2-3-8-21(20)19-22/h2-5,7-12,19,25H,6,13-18H2,1H3
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n/an/a 20n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHO cell membrane


Bioorg Med Chem 16: 5405-12 (2008)


Article DOI: 10.1016/j.bmc.2008.04.023
BindingDB Entry DOI: 10.7270/Q2RX9BVH
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50261126
PNG
(CHEMBL497749 | N-(3-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C24H29N3O3S/c1-30-24-10-5-4-9-23(24)27-17-15-26(16-18-27)14-6-13-25-31(28,29)22-12-11-20-7-2-3-8-21(20)19-22/h2-5,7-12,19,25H,6,13-18H2,1H3
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n/an/a 2.63E+3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HeLa cells


Bioorg Med Chem 16: 5405-12 (2008)


Article DOI: 10.1016/j.bmc.2008.04.023
BindingDB Entry DOI: 10.7270/Q2RX9BVH
More data for this
Ligand-Target Pair