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BDBM50333551 2-ethyl-5-(N-methyl-piperazin-1-yl)-1-(naphthalene-2-sulfonyl)-2,3-dihydro-1H-quinolin-4-one::CHEMBL1642126

SMILES: CCC1CC(=O)c2c(cccc2N1S(=O)(=O)c1ccc2ccccc2c1)N1CCN(C)CC1

InChI Key: InChIKey=PXEURUZEVKVPGJ-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50333551   
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 6 (5-HT6)


(Homo sapiens (human))
BDBM50333551
PNG
(2-ethyl-5-(N-methyl-piperazin-1-yl)-1-(naphthalene...)
Show SMILES CCC1CC(=O)c2c(cccc2N1S(=O)(=O)c1ccc2ccccc2c1)N1CCN(C)CC1
Show InChI InChI=1S/C26H29N3O3S/c1-3-21-18-25(30)26-23(28-15-13-27(2)14-16-28)9-6-10-24(26)29(21)33(31,32)22-12-11-19-7-4-5-8-20(19)17-22/h4-12,17,21H,3,13-16,18H2,1-2H3
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n/an/a 9n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 21: 698-703 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.007
BindingDB Entry DOI: 10.7270/Q2W37WM6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50333551
PNG
(2-ethyl-5-(N-methyl-piperazin-1-yl)-1-(naphthalene...)
Show SMILES CCC1CC(=O)c2c(cccc2N1S(=O)(=O)c1ccc2ccccc2c1)N1CCN(C)CC1
Show InChI InChI=1S/C26H29N3O3S/c1-3-21-18-25(30)26-23(28-15-13-27(2)14-16-28)9-6-10-24(26)29(21)33(31,32)22-12-11-19-7-4-5-8-20(19)17-22/h4-12,17,21H,3,13-16,18H2,1-2H3
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n/an/a 999n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in cells


Bioorg Med Chem Lett 21: 698-703 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.007
BindingDB Entry DOI: 10.7270/Q2W37WM6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50333551
PNG
(2-ethyl-5-(N-methyl-piperazin-1-yl)-1-(naphthalene...)
Show SMILES CCC1CC(=O)c2c(cccc2N1S(=O)(=O)c1ccc2ccccc2c1)N1CCN(C)CC1
Show InChI InChI=1S/C26H29N3O3S/c1-3-21-18-25(30)26-23(28-15-13-27(2)14-16-28)9-6-10-24(26)29(21)33(31,32)22-12-11-19-7-4-5-8-20(19)17-22/h4-12,17,21H,3,13-16,18H2,1-2H3
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n/an/a 455n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor expressed in cells


Bioorg Med Chem Lett 21: 698-703 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.007
BindingDB Entry DOI: 10.7270/Q2W37WM6
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50333551
PNG
(2-ethyl-5-(N-methyl-piperazin-1-yl)-1-(naphthalene...)
Show SMILES CCC1CC(=O)c2c(cccc2N1S(=O)(=O)c1ccc2ccccc2c1)N1CCN(C)CC1
Show InChI InChI=1S/C26H29N3O3S/c1-3-21-18-25(30)26-23(28-15-13-27(2)14-16-28)9-6-10-24(26)29(21)33(31,32)22-12-11-19-7-4-5-8-20(19)17-22/h4-12,17,21H,3,13-16,18H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D4 receptor expressed in cells


Bioorg Med Chem Lett 21: 698-703 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.007
BindingDB Entry DOI: 10.7270/Q2W37WM6
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50333551
PNG
(2-ethyl-5-(N-methyl-piperazin-1-yl)-1-(naphthalene...)
Show SMILES CCC1CC(=O)c2c(cccc2N1S(=O)(=O)c1ccc2ccccc2c1)N1CCN(C)CC1
Show InChI InChI=1S/C26H29N3O3S/c1-3-21-18-25(30)26-23(28-15-13-27(2)14-16-28)9-6-10-24(26)29(21)33(31,32)22-12-11-19-7-4-5-8-20(19)17-22/h4-12,17,21H,3,13-16,18H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT7 receptor expressed in cells


Bioorg Med Chem Lett 21: 698-703 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.007
BindingDB Entry DOI: 10.7270/Q2W37WM6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50333551
PNG
(2-ethyl-5-(N-methyl-piperazin-1-yl)-1-(naphthalene...)
Show SMILES CCC1CC(=O)c2c(cccc2N1S(=O)(=O)c1ccc2ccccc2c1)N1CCN(C)CC1
Show InChI InChI=1S/C26H29N3O3S/c1-3-21-18-25(30)26-23(28-15-13-27(2)14-16-28)9-6-10-24(26)29(21)33(31,32)22-12-11-19-7-4-5-8-20(19)17-22/h4-12,17,21H,3,13-16,18H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2 receptor expressed in cells


Bioorg Med Chem Lett 21: 698-703 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.007
BindingDB Entry DOI: 10.7270/Q2W37WM6
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50333551
PNG
(2-ethyl-5-(N-methyl-piperazin-1-yl)-1-(naphthalene...)
Show SMILES CCC1CC(=O)c2c(cccc2N1S(=O)(=O)c1ccc2ccccc2c1)N1CCN(C)CC1
Show InChI InChI=1S/C26H29N3O3S/c1-3-21-18-25(30)26-23(28-15-13-27(2)14-16-28)9-6-10-24(26)29(21)33(31,32)22-12-11-19-7-4-5-8-20(19)17-22/h4-12,17,21H,3,13-16,18H2,1-2H3
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n/an/a 623n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor expressed in cells


Bioorg Med Chem Lett 21: 698-703 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.007
BindingDB Entry DOI: 10.7270/Q2W37WM6
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50333551
PNG
(2-ethyl-5-(N-methyl-piperazin-1-yl)-1-(naphthalene...)
Show SMILES CCC1CC(=O)c2c(cccc2N1S(=O)(=O)c1ccc2ccccc2c1)N1CCN(C)CC1
Show InChI InChI=1S/C26H29N3O3S/c1-3-21-18-25(30)26-23(28-15-13-27(2)14-16-28)9-6-10-24(26)29(21)33(31,32)22-12-11-19-7-4-5-8-20(19)17-22/h4-12,17,21H,3,13-16,18H2,1-2H3
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n/an/a 4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5HT2C receptor expressed in cells


Bioorg Med Chem Lett 21: 698-703 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.007
BindingDB Entry DOI: 10.7270/Q2W37WM6
More data for this
Ligand-Target Pair