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4 similar compounds to monomer 50261124

Compile data set for download or QSAR
Wt: 477.5
BDBM50261125
Wt: 491.5
BDBM50306824
Wt: 573.7
BDBM50306836
Wt: 531.6
BDBM50306853

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50261125,50306824,50306836,50306853   
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 7 (5-HT7)


(Homo sapiens (Human))
BDBM50261125
PNG
(CHEMBL495884 | Naphthalene-2-sulfonic acid {3-[4-(...)
Show SMILES FC(F)(F)c1ccc(cc1)N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C24H26F3N3O2S/c25-24(26,27)21-7-9-22(10-8-21)30-16-14-29(15-17-30)13-3-12-28-33(31,32)23-11-6-19-4-1-2-5-20(19)18-23/h1-2,4-11,18,28H,3,12-17H2
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n/an/a 567n/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 2A


(Homo sapiens (Human))
BDBM50306824
PNG
(CHEMBL603093 | N-(4-(4-(3-(Trifluoromethyl)phenyl)...)
Show SMILES CC(CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C25H28F3N3O2S/c1-19(29-34(32,33)24-10-9-20-5-2-3-6-21(20)17-24)11-12-30-13-15-31(16-14-30)23-8-4-7-22(18-23)25(26,27)28/h2-10,17-19,29H,11-16H2,1H3
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n/an/a 180n/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 2C


(Homo sapiens (Human))
BDBM50306836
PNG
(CHEMBL602087 | N-(Cyclohexylmethyl)-N-(3-(4-(3-(tr...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C31H38F3N3O2S/c32-31(33,34)28-12-6-13-29(23-28)36-20-18-35(19-21-36)16-7-17-37(24-25-8-2-1-3-9-25)40(38,39)30-15-14-26-10-4-5-11-27(26)22-30/h4-6,10-15,22-23,25H,1-3,7-9,16-21,24H2
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n/an/a 66n/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 2C


(Homo sapiens (Human))
BDBM50306853
PNG
(CHEMBL601220 | N-(Cyclopropylmethyl)-N-(3-(4-(3-(t...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCN(CC2CC2)S(=O)(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C28H32F3N3O2S/c29-28(30,31)25-7-3-8-26(20-25)33-17-15-32(16-18-33)13-4-14-34(21-22-9-10-22)37(35,36)27-12-11-23-5-1-2-6-24(23)19-27/h1-3,5-8,11-12,19-20,22H,4,9-10,13-18,21H2
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n/an/a 304n/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))
BDBM50306853
PNG
(CHEMBL601220 | N-(Cyclopropylmethyl)-N-(3-(4-(3-(t...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCN(CC2CC2)S(=O)(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C28H32F3N3O2S/c29-28(30,31)25-7-3-8-26(20-25)33-17-15-32(16-18-33)13-4-14-34(21-22-9-10-22)37(35,36)27-12-11-23-5-1-2-6-24(23)19-27/h1-3,5-8,11-12,19-20,22H,4,9-10,13-18,21H2
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n/an/a 221n/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 (5-HT7)


(Homo sapiens (Human))
BDBM50306836
PNG
(CHEMBL602087 | N-(Cyclohexylmethyl)-N-(3-(4-(3-(tr...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C31H38F3N3O2S/c32-31(33,34)28-12-6-13-29(23-28)36-20-18-35(19-21-36)16-7-17-37(24-25-8-2-1-3-9-25)40(38,39)30-15-14-26-10-4-5-11-27(26)22-30/h4-6,10-15,22-23,25H,1-3,7-9,16-21,24H2
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n/an/a 888n/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
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50306853
PNG
(CHEMBL601220 | N-(Cyclopropylmethyl)-N-(3-(4-(3-(t...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCN(CC2CC2)S(=O)(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C28H32F3N3O2S/c29-28(30,31)25-7-3-8-26(20-25)33-17-15-32(16-18-33)13-4-14-34(21-22-9-10-22)37(35,36)27-12-11-23-5-1-2-6-24(23)19-27/h1-3,5-8,11-12,19-20,22H,4,9-10,13-18,21H2
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n/an/a 342n/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
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50306824
PNG
(CHEMBL603093 | N-(4-(4-(3-(Trifluoromethyl)phenyl)...)
Show SMILES CC(CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C25H28F3N3O2S/c1-19(29-34(32,33)24-10-9-20-5-2-3-6-21(20)17-24)11-12-30-13-15-31(16-14-30)23-8-4-7-22(18-23)25(26,27)28/h2-10,17-19,29H,11-16H2,1H3
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n/an/a 363n/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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50306836
PNG
(CHEMBL602087 | N-(Cyclohexylmethyl)-N-(3-(4-(3-(tr...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C31H38F3N3O2S/c32-31(33,34)28-12-6-13-29(23-28)36-20-18-35(19-21-36)16-7-17-37(24-25-8-2-1-3-9-25)40(38,39)30-15-14-26-10-4-5-11-27(26)22-30/h4-6,10-15,22-23,25H,1-3,7-9,16-21,24H2
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n/an/a 13.1n/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 2C


(Homo sapiens (Human))
BDBM50306824
PNG
(CHEMBL603093 | N-(4-(4-(3-(Trifluoromethyl)phenyl)...)
Show SMILES CC(CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C25H28F3N3O2S/c1-19(29-34(32,33)24-10-9-20-5-2-3-6-21(20)17-24)11-12-30-13-15-31(16-14-30)23-8-4-7-22(18-23)25(26,27)28/h2-10,17-19,29H,11-16H2,1H3
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n/an/a 942n/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