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5 similar compounds to monomer 50324861

Compile data set for download or QSAR
Wt: 423.5
BDBM50324863
Wt: 463.6
BDBM50324864
Wt: 409.5
BDBM50324867
Wt: 451.6
BDBM50324874
Wt: 437.5
BDBM50324875

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50324863,50324864,50324867,50324874,50324875   
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))
BDBM50324863
PNG
(CHEMBL1222363 | Naphthalene-2-sulfonic acid [3-(4-...)
Show SMILES CCCN(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H29N3O2S/c1-3-13-27(23-10-6-9-22(19-23)26-16-14-25(2)15-17-26)30(28,29)24-12-11-20-7-4-5-8-21(20)18-24/h4-12,18-19H,3,13-17H2,1-2H3
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n/an/a 7n/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
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50324863
PNG
(CHEMBL1222363 | Naphthalene-2-sulfonic acid [3-(4-...)
Show SMILES CCCN(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H29N3O2S/c1-3-13-27(23-10-6-9-22(19-23)26-16-14-25(2)15-17-26)30(28,29)24-12-11-20-7-4-5-8-21(20)18-24/h4-12,18-19H,3,13-17H2,1-2H3
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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]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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50324867
PNG
(CHEMBL1222364 | Naphthalene-2-sulfonic acid ethyl-...)
Show SMILES CCN(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C23H27N3O2S/c1-3-26(22-10-6-9-21(18-22)25-15-13-24(2)14-16-25)29(27,28)23-12-11-19-7-4-5-8-20(19)17-23/h4-12,17-18H,3,13-16H2,1-2H3
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n/an/a 16n/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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50324874
PNG
(CHEMBL1222361 | naphthalene-2-sulfonic acid (1-eth...)
Show SMILES CCC(CC)N(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H33N3O2S/c1-4-23(5-2)29(25-12-8-11-24(20-25)28-17-15-27(3)16-18-28)32(30,31)26-14-13-21-9-6-7-10-22(21)19-26/h6-14,19-20,23H,4-5,15-18H2,1-3H3
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n/an/a 159n/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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50324875
PNG
(CHEMBL1221451 | Naphthalene-2-sulfonicacid sec-but...)
Show SMILES CCC(C)N(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C25H31N3O2S/c1-4-20(2)28(24-11-7-10-23(19-24)27-16-14-26(3)15-17-27)31(29,30)25-13-12-21-8-5-6-9-22(21)18-25/h5-13,18-20H,4,14-17H2,1-3H3
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n/an/a 168n/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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50324867
PNG
(CHEMBL1222364 | Naphthalene-2-sulfonic acid ethyl-...)
Show SMILES CCN(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C23H27N3O2S/c1-3-26(22-10-6-9-21(18-22)25-15-13-24(2)14-16-25)29(27,28)23-12-11-19-7-4-5-8-20(19)17-23/h4-12,17-18H,3,13-16H2,1-2H3
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n/an/a 218n/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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50324863
PNG
(CHEMBL1222363 | Naphthalene-2-sulfonic acid [3-(4-...)
Show SMILES CCCN(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H29N3O2S/c1-3-13-27(23-10-6-9-22(19-23)26-16-14-25(2)15-17-26)30(28,29)24-12-11-20-7-4-5-8-21(20)18-24/h4-12,18-19H,3,13-17H2,1-2H3
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n/an/a 389n/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
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50324867
PNG
(CHEMBL1222364 | Naphthalene-2-sulfonic acid ethyl-...)
Show SMILES CCN(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C23H27N3O2S/c1-3-26(22-10-6-9-21(18-22)25-15-13-24(2)14-16-25)29(27,28)23-12-11-19-7-4-5-8-20(19)17-23/h4-12,17-18H,3,13-16H2,1-2H3
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n/an/a 485n/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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50324867
PNG
(CHEMBL1222364 | Naphthalene-2-sulfonic acid ethyl-...)
Show SMILES CCN(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C23H27N3O2S/c1-3-26(22-10-6-9-21(18-22)25-15-13-24(2)14-16-25)29(27,28)23-12-11-19-7-4-5-8-20(19)17-23/h4-12,17-18H,3,13-16H2,1-2H3
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n/an/a 1.17E+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 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 7 (5-HT7)


(Homo sapiens (Human))
BDBM50324867
PNG
(CHEMBL1222364 | Naphthalene-2-sulfonic acid ethyl-...)
Show SMILES CCN(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C23H27N3O2S/c1-3-26(22-10-6-9-21(18-22)25-15-13-24(2)14-16-25)29(27,28)23-12-11-19-7-4-5-8-20(19)17-23/h4-12,17-18H,3,13-16H2,1-2H3
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n/an/a 2.06E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT7 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(3) dopamine receptor


(Homo sapiens (Human))
BDBM50324863
PNG
(CHEMBL1222363 | Naphthalene-2-sulfonic acid [3-(4-...)
Show SMILES CCCN(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H29N3O2S/c1-3-13-27(23-10-6-9-22(19-23)26-16-14-25(2)15-17-26)30(28,29)24-12-11-20-7-4-5-8-21(20)18-24/h4-12,18-19H,3,13-17H2,1-2H3
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n/an/a 2.51E+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 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 (5-HT1A)


(Homo sapiens (Human))
BDBM50324863
PNG
(CHEMBL1222363 | Naphthalene-2-sulfonic acid [3-(4-...)
Show SMILES CCCN(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H29N3O2S/c1-3-13-27(23-10-6-9-22(19-23)26-16-14-25(2)15-17-26)30(28,29)24-12-11-20-7-4-5-8-21(20)18-24/h4-12,18-19H,3,13-17H2,1-2H3
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n/an/a 3.76E+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 7 (5-HT7)


(Homo sapiens (Human))
BDBM50324863
PNG
(CHEMBL1222363 | Naphthalene-2-sulfonic acid [3-(4-...)
Show SMILES CCCN(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H29N3O2S/c1-3-13-27(23-10-6-9-22(19-23)26-16-14-25(2)15-17-26)30(28,29)24-12-11-20-7-4-5-8-21(20)18-24/h4-12,18-19H,3,13-17H2,1-2H3
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n/an/a 3.87E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT7 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))
BDBM50324863
PNG
(CHEMBL1222363 | Naphthalene-2-sulfonic acid [3-(4-...)
Show SMILES CCCN(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H29N3O2S/c1-3-13-27(23-10-6-9-22(19-23)26-16-14-25(2)15-17-26)30(28,29)24-12-11-20-7-4-5-8-21(20)18-24/h4-12,18-19H,3,13-17H2,1-2H3
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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 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
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50324863
PNG
(CHEMBL1222363 | Naphthalene-2-sulfonic acid [3-(4-...)
Show SMILES CCCN(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H29N3O2S/c1-3-13-27(23-10-6-9-22(19-23)26-16-14-25(2)15-17-26)30(28,29)24-12-11-20-7-4-5-8-21(20)18-24/h4-12,18-19H,3,13-17H2,1-2H3
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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 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))
BDBM50324867
PNG
(CHEMBL1222364 | Naphthalene-2-sulfonic acid ethyl-...)
Show SMILES CCN(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C23H27N3O2S/c1-3-26(22-10-6-9-21(18-22)25-15-13-24(2)14-16-25)29(27,28)23-12-11-19-7-4-5-8-20(19)17-23/h4-12,17-18H,3,13-16H2,1-2H3
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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 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
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50324867
PNG
(CHEMBL1222364 | Naphthalene-2-sulfonic acid ethyl-...)
Show SMILES CCN(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C23H27N3O2S/c1-3-26(22-10-6-9-21(18-22)25-15-13-24(2)14-16-25)29(27,28)23-12-11-19-7-4-5-8-20(19)17-23/h4-12,17-18H,3,13-16H2,1-2H3
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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 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))
BDBM50324867
PNG
(CHEMBL1222364 | Naphthalene-2-sulfonic acid ethyl-...)
Show SMILES CCN(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C23H27N3O2S/c1-3-26(22-10-6-9-21(18-22)25-15-13-24(2)14-16-25)29(27,28)23-12-11-19-7-4-5-8-20(19)17-23/h4-12,17-18H,3,13-16H2,1-2H3
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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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50324864
PNG
(CHEMBL1221450 | Naphthalene-2-sulfonic acid cyclop...)
Show SMILES CN1CCN(CC1)c1cccc(c1)N(CC1CCCC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H33N3O2S/c1-28-15-17-29(18-16-28)25-11-6-12-26(20-25)30(21-22-7-2-3-8-22)33(31,32)27-14-13-23-9-4-5-10-24(23)19-27/h4-6,9-14,19-20,22H,2-3,7-8,15-18,21H2,1H3
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n/an/a 11n/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