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BDBM50154705 4-Methoxy-N-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propyl}-benzenesulfonamide::4-Methoxy-N-{3-[4-(o-methoxyphenyl)-piperazin-1-yl]-propyl}-benzenesulfonamide::CHEMBL427518

SMILES: COc1ccc(cc1)S(=O)(=O)NCCCN1CCN(CC1)c1ccccc1OC

InChI Key: InChIKey=FJGYVPIKFQWJJI-UHFFFAOYSA-N

Data: 1 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 6 hits for monomerid = 50154705   
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))
BDBM50154705
PNG
(4-Methoxy-N-{3-[4-(2-methoxy-phenyl)-piperazin-1-y...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NCCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C21H29N3O4S/c1-27-18-8-10-19(11-9-18)29(25,26)22-12-5-13-23-14-16-24(17-15-23)20-6-3-4-7-21(20)28-2/h3-4,6-11,22H,5,12-17H2,1-2H3
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100n/an/an/an/an/an/an/an/a



State University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-HT7 receptor expressed in HEK cells


J Med Chem 47: 5451-66 (2004)


Article DOI: 10.1021/jm049743b
BindingDB Entry DOI: 10.7270/Q2TB16C9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (human))
BDBM50154705
PNG
(4-Methoxy-N-{3-[4-(2-methoxy-phenyl)-piperazin-1-y...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NCCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C21H29N3O4S/c1-27-18-8-10-19(11-9-18)29(25,26)22-12-5-13-23-14-16-24(17-15-23)20-6-3-4-7-21(20)28-2/h3-4,6-11,22H,5,12-17H2,1-2H3
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n/an/a 9.67E+3n/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 6 (5-HT6)


(Homo sapiens (human))
BDBM50154705
PNG
(4-Methoxy-N-{3-[4-(2-methoxy-phenyl)-piperazin-1-y...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NCCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C21H29N3O4S/c1-27-18-8-10-19(11-9-18)29(25,26)22-12-5-13-23-14-16-24(17-15-23)20-6-3-4-7-21(20)28-2/h3-4,6-11,22H,5,12-17H2,1-2H3
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n/an/a>1.00E+4n/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
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50154705
PNG
(4-Methoxy-N-{3-[4-(2-methoxy-phenyl)-piperazin-1-y...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NCCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C21H29N3O4S/c1-27-18-8-10-19(11-9-18)29(25,26)22-12-5-13-23-14-16-24(17-15-23)20-6-3-4-7-21(20)28-2/h3-4,6-11,22H,5,12-17H2,1-2H3
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n/an/a 5.17E+3n/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 7 (5-HT7)


(Homo sapiens (human))
BDBM50154705
PNG
(4-Methoxy-N-{3-[4-(2-methoxy-phenyl)-piperazin-1-y...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NCCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C21H29N3O4S/c1-27-18-8-10-19(11-9-18)29(25,26)22-12-5-13-23-14-16-24(17-15-23)20-6-3-4-7-21(20)28-2/h3-4,6-11,22H,5,12-17H2,1-2H3
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n/an/a 37n/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 1A (5-HT1A)


(Homo sapiens (human))
BDBM50154705
PNG
(4-Methoxy-N-{3-[4-(2-methoxy-phenyl)-piperazin-1-y...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NCCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C21H29N3O4S/c1-27-18-8-10-19(11-9-18)29(25,26)22-12-5-13-23-14-16-24(17-15-23)20-6-3-4-7-21(20)28-2/h3-4,6-11,22H,5,12-17H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 272n/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