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BDBM50324886 CHEMBL1222134::naphthalene-2-sulfonic acid isopropyl-[3-(4-methyl-piperazin-1-yl)-phenyl]-amide

SMILES: CC(C)N(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1

InChI Key: InChIKey=ZHKSBEBKWSIVCL-UHFFFAOYSA-N

Data: 7 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50324886   
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 2A


(Homo sapiens (human))
BDBM50324886
PNG
(CHEMBL1222134 | naphthalene-2-sulfonic acid isopro...)
Show SMILES CC(C)N(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H29N3O2S/c1-19(2)27(23-10-6-9-22(18-23)26-15-13-25(3)14-16-26)30(28,29)24-12-11-20-7-4-5-8-21(20)17-24/h4-12,17-19H,13-16H2,1-3H3
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n/an/a 118n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5221-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.150
BindingDB Entry DOI: 10.7270/Q27W6CCH
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50324886
PNG
(CHEMBL1222134 | naphthalene-2-sulfonic acid isopro...)
Show SMILES CC(C)N(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H29N3O2S/c1-19(2)27(23-10-6-9-22(18-23)26-15-13-25(3)14-16-26)30(28,29)24-12-11-20-7-4-5-8-21(20)17-24/h4-12,17-19H,13-16H2,1-3H3
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n/an/a 248n/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 CHOKI cells


Bioorg Med Chem Lett 20: 5221-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.150
BindingDB Entry DOI: 10.7270/Q27W6CCH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50324886
PNG
(CHEMBL1222134 | naphthalene-2-sulfonic acid isopro...)
Show SMILES CC(C)N(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H29N3O2S/c1-19(2)27(23-10-6-9-22(18-23)26-15-13-25(3)14-16-26)30(28,29)24-12-11-20-7-4-5-8-21(20)17-24/h4-12,17-19H,13-16H2,1-3H3
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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]8-OH-DPAT from human 5HT1A expressed in CHOKI cells


Bioorg Med Chem Lett 20: 5221-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.150
BindingDB Entry DOI: 10.7270/Q27W6CCH
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50324886
PNG
(CHEMBL1222134 | naphthalene-2-sulfonic acid isopro...)
Show SMILES CC(C)N(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H29N3O2S/c1-19(2)27(23-10-6-9-22(18-23)26-15-13-25(3)14-16-26)30(28,29)24-12-11-20-7-4-5-8-21(20)17-24/h4-12,17-19H,13-16H2,1-3H3
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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 expressed in CHOKI cells


Bioorg Med Chem Lett 20: 5221-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.150
BindingDB Entry DOI: 10.7270/Q27W6CCH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50324886
PNG
(CHEMBL1222134 | naphthalene-2-sulfonic acid isopro...)
Show SMILES CC(C)N(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H29N3O2S/c1-19(2)27(23-10-6-9-22(18-23)26-15-13-25(3)14-16-26)30(28,29)24-12-11-20-7-4-5-8-21(20)17-24/h4-12,17-19H,13-16H2,1-3H3
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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 D2 expressed in CHOKI cells


Bioorg Med Chem Lett 20: 5221-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.150
BindingDB Entry DOI: 10.7270/Q27W6CCH
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50324886
PNG
(CHEMBL1222134 | naphthalene-2-sulfonic acid isopro...)
Show SMILES CC(C)N(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H29N3O2S/c1-19(2)27(23-10-6-9-22(18-23)26-15-13-25(3)14-16-26)30(28,29)24-12-11-20-7-4-5-8-21(20)17-24/h4-12,17-19H,13-16H2,1-3H3
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n/an/a 3n/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 20: 5221-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.150
BindingDB Entry DOI: 10.7270/Q27W6CCH
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50324886
PNG
(CHEMBL1222134 | naphthalene-2-sulfonic acid isopro...)
Show SMILES CC(C)N(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H29N3O2S/c1-19(2)27(23-10-6-9-22(18-23)26-15-13-25(3)14-16-26)30(28,29)24-12-11-20-7-4-5-8-21(20)17-24/h4-12,17-19H,13-16H2,1-3H3
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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 D4 receptor expressed in CHOKI cells


Bioorg Med Chem Lett 20: 5221-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.150
BindingDB Entry DOI: 10.7270/Q27W6CCH
More data for this
Ligand-Target Pair