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BDBM50306837 CHEMBL602284::N-(Cyclohexylmethyl)-N-(3-(4-(4-fluorophenyl)piperazin-1-yl)propyl)naphthalene-2-sulfonamide

SMILES: Fc1ccc(cc1)N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2ccc3ccccc3c2)CC1

InChI Key: InChIKey=LSGJWSJZDUYGNN-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50306837   
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 2C


(Homo sapiens (Human))
BDBM50306837
PNG
(CHEMBL602284 | N-(Cyclohexylmethyl)-N-(3-(4-(4-flu...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C30H38FN3O2S/c31-28-12-14-29(15-13-28)33-21-19-32(20-22-33)17-6-18-34(24-25-7-2-1-3-8-25)37(35,36)30-16-11-26-9-4-5-10-27(26)23-30/h4-5,9-16,23,25H,1-3,6-8,17-22,24H2
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PC cid
PC sid
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Article
PubMed
n/an/a 24n/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 CHO-K1 cells


Bioorg Med Chem 18: 1665-75 (2010)


Article DOI: 10.1016/j.bmc.2009.12.067
BindingDB Entry DOI: 10.7270/Q2R78F99
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50306837
PNG
(CHEMBL602284 | N-(Cyclohexylmethyl)-N-(3-(4-(4-flu...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C30H38FN3O2S/c31-28-12-14-29(15-13-28)33-21-19-32(20-22-33)17-6-18-34(24-25-7-2-1-3-8-25)37(35,36)30-16-11-26-9-4-5-10-27(26)23-30/h4-5,9-16,23,25H,1-3,6-8,17-22,24H2
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MMDB

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Article
PubMed
n/an/a 0.5n/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 avCHO-K1 cells


Bioorg Med Chem 18: 1665-75 (2010)


Article DOI: 10.1016/j.bmc.2009.12.067
BindingDB Entry DOI: 10.7270/Q2R78F99
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50306837
PNG
(CHEMBL602284 | N-(Cyclohexylmethyl)-N-(3-(4-(4-flu...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C30H38FN3O2S/c31-28-12-14-29(15-13-28)33-21-19-32(20-22-33)17-6-18-34(24-25-7-2-1-3-8-25)37(35,36)30-16-11-26-9-4-5-10-27(26)23-30/h4-5,9-16,23,25H,1-3,6-8,17-22,24H2
Reactome pathway
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PC sid
UniChem

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Article
PubMed
n/an/a 1.51E+3n/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 cells


Bioorg Med Chem 18: 1665-75 (2010)


Article DOI: 10.1016/j.bmc.2009.12.067
BindingDB Entry DOI: 10.7270/Q2R78F99
More data for this
Ligand-Target Pair