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6 similar compounds to monomer 50306820

Compile data set for download or QSAR
Wt: 464.6
BDBM50306818
Wt: 482.6
BDBM50306821
Wt: 506.7
BDBM50306838
Wt: 574.7
BDBM50306840
Wt: 524.6
BDBM50306841
Wt: 531.6
BDBM50306853

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50306818,50306821,50306838,50306840,50306841,50306853   
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 2A


(Homo sapiens (Human))
BDBM50306818
PNG
(CHEMBL600607 | N-(Cyclopropylmethyl)-N-(3-(4-pheny...)
Show SMILES O=S(=O)(N(CCCN1CCN(CC1)c1ccccc1)CC1CC1)c1cccc2cccnc12
Show InChI InChI=1S/C26H32N4O2S/c31-33(32,25-11-4-7-23-8-5-14-27-26(23)25)30(21-22-12-13-22)16-6-15-28-17-19-29(20-18-28)24-9-2-1-3-10-24/h1-5,7-11,14,22H,6,12-13,15-21H2
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n/an/a 292n/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 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 2C


(Homo sapiens (Human))
BDBM50306838
PNG
(CHEMBL602285 | N-(Cyclohexylmethyl)-N-(3-(4-phenyl...)
Show SMILES O=S(=O)(N(CCCN1CCN(CC1)c1ccccc1)CC1CCCCC1)c1cccc2cccnc12
Show InChI InChI=1S/C29H38N4O2S/c34-36(35,28-16-7-12-26-13-8-17-30-29(26)28)33(24-25-10-3-1-4-11-25)19-9-18-31-20-22-32(23-21-31)27-14-5-2-6-15-27/h2,5-8,12-17,25H,1,3-4,9-11,18-24H2
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n/an/a 843n/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))
BDBM50306840
PNG
(CHEMBL601886 | N-(Cyclohexylmethyl)-N-[3-(4-(3-tri...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2cccc3cccnc23)CC1
Show InChI InChI=1S/C30H37F3N4O2S/c31-30(32,33)26-12-5-13-27(22-26)36-20-18-35(19-21-36)16-7-17-37(23-24-8-2-1-3-9-24)40(38,39)28-14-4-10-25-11-6-15-34-29(25)28/h4-6,10-15,22,24H,1-3,7-9,16-21,23H2
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n/an/a 38.8n/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))
BDBM50306841
PNG
(CHEMBL601887 | N-(Cyclohexylmethyl)-N-[3-(4-(4-flu...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2cccc3cccnc23)CC1
Show InChI InChI=1S/C29H37FN4O2S/c30-26-12-14-27(15-13-26)33-21-19-32(20-22-33)17-6-18-34(23-24-7-2-1-3-8-24)37(35,36)28-11-4-9-25-10-5-16-31-29(25)28/h4-5,9-16,24H,1-3,6-8,17-23H2
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n/an/a 136n/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 2C


(Homo sapiens (Human))
BDBM50306818
PNG
(CHEMBL600607 | N-(Cyclopropylmethyl)-N-(3-(4-pheny...)
Show SMILES O=S(=O)(N(CCCN1CCN(CC1)c1ccccc1)CC1CC1)c1cccc2cccnc12
Show InChI InChI=1S/C26H32N4O2S/c31-33(32,25-11-4-7-23-8-5-14-27-26(23)25)30(21-22-12-13-22)16-6-15-28-17-19-29(20-18-28)24-9-2-1-3-10-24/h1-5,7-11,14,22H,6,12-13,15-21H2
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n/an/a 2.16E+3n/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))
BDBM50306821
PNG
(CHEMBL602889 | N-(Cyclopropylmethyl)-N-(3-(4-(4-fl...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCN(CC2CC2)S(=O)(=O)c2cccc3cccnc23)CC1
Show InChI InChI=1S/C26H31FN4O2S/c27-23-9-11-24(12-10-23)30-18-16-29(17-19-30)14-3-15-31(20-21-7-8-21)34(32,33)25-6-1-4-22-5-2-13-28-26(22)25/h1-2,4-6,9-13,21H,3,7-8,14-20H2
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n/an/a 4.76E+3n/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 7 (5-HT7)


(Homo sapiens (Human))
BDBM50306838
PNG
(CHEMBL602285 | N-(Cyclohexylmethyl)-N-(3-(4-phenyl...)
Show SMILES O=S(=O)(N(CCCN1CCN(CC1)c1ccccc1)CC1CCCCC1)c1cccc2cccnc12
Show InChI InChI=1S/C29H38N4O2S/c34-36(35,28-16-7-12-26-13-8-17-30-29(26)28)33(24-25-10-3-1-4-11-25)19-9-18-31-20-22-32(23-21-31)27-14-5-2-6-15-27/h2,5-8,12-17,25H,1,3-4,9-11,18-24H2
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n/an/a 419n/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))
BDBM50306840
PNG
(CHEMBL601886 | N-(Cyclohexylmethyl)-N-[3-(4-(3-tri...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2cccc3cccnc23)CC1
Show InChI InChI=1S/C30H37F3N4O2S/c31-30(32,33)26-12-5-13-27(22-26)36-20-18-35(19-21-36)16-7-17-37(23-24-8-2-1-3-9-24)40(38,39)28-14-4-10-25-11-6-15-34-29(25)28/h4-6,10-15,22,24H,1-3,7-9,16-21,23H2
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n/an/a 160n/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))
BDBM50306841
PNG
(CHEMBL601887 | N-(Cyclohexylmethyl)-N-[3-(4-(4-flu...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2cccc3cccnc23)CC1
Show InChI InChI=1S/C29H37FN4O2S/c30-26-12-14-27(15-13-26)33-21-19-32(20-22-33)17-6-18-34(23-24-7-2-1-3-8-24)37(35,36)28-11-4-9-25-10-5-16-31-29(25)28/h4-5,9-16,24H,1-3,6-8,17-23H2
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n/an/a 442n/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))
BDBM50306818
PNG
(CHEMBL600607 | N-(Cyclopropylmethyl)-N-(3-(4-pheny...)
Show SMILES O=S(=O)(N(CCCN1CCN(CC1)c1ccccc1)CC1CC1)c1cccc2cccnc12
Show InChI InChI=1S/C26H32N4O2S/c31-33(32,25-11-4-7-23-8-5-14-27-26(23)25)30(21-22-12-13-22)16-6-15-28-17-19-29(20-18-28)24-9-2-1-3-10-24/h1-5,7-11,14,22H,6,12-13,15-21H2
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n/an/a 749n/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))
BDBM50306821
PNG
(CHEMBL602889 | N-(Cyclopropylmethyl)-N-(3-(4-(4-fl...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCN(CC2CC2)S(=O)(=O)c2cccc3cccnc23)CC1
Show InChI InChI=1S/C26H31FN4O2S/c27-23-9-11-24(12-10-23)30-18-16-29(17-19-30)14-3-15-31(20-21-7-8-21)34(32,33)25-6-1-4-22-5-2-13-28-26(22)25/h1-2,4-6,9-13,21H,3,7-8,14-20H2
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n/an/a 35.3n/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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50306838
PNG
(CHEMBL602285 | N-(Cyclohexylmethyl)-N-(3-(4-phenyl...)
Show SMILES O=S(=O)(N(CCCN1CCN(CC1)c1ccccc1)CC1CCCCC1)c1cccc2cccnc12
Show InChI InChI=1S/C29H38N4O2S/c34-36(35,28-16-7-12-26-13-8-17-30-29(26)28)33(24-25-10-3-1-4-11-25)19-9-18-31-20-22-32(23-21-31)27-14-5-2-6-15-27/h2,5-8,12-17,25H,1,3-4,9-11,18-24H2
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n/an/a 34.6n/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 2A


(Homo sapiens (Human))
BDBM50306840
PNG
(CHEMBL601886 | N-(Cyclohexylmethyl)-N-[3-(4-(3-tri...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2cccc3cccnc23)CC1
Show InChI InChI=1S/C30H37F3N4O2S/c31-30(32,33)26-12-5-13-27(22-26)36-20-18-35(19-21-36)16-7-17-37(23-24-8-2-1-3-9-24)40(38,39)28-14-4-10-25-11-6-15-34-29(25)28/h4-6,10-15,22,24H,1-3,7-9,16-21,23H2
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n/an/a 29.1n/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 2A


(Homo sapiens (Human))
BDBM50306841
PNG
(CHEMBL601887 | N-(Cyclohexylmethyl)-N-[3-(4-(4-flu...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2cccc3cccnc23)CC1
Show InChI InChI=1S/C29H37FN4O2S/c30-26-12-14-27(15-13-26)33-21-19-32(20-22-33)17-6-18-34(23-24-7-2-1-3-8-24)37(35,36)28-11-4-9-25-10-5-16-31-29(25)28/h4-5,9-16,24H,1-3,6-8,17-23H2
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n/an/a 5.10n/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 2A


(Homo sapiens (Human))
BDBM50306821
PNG
(CHEMBL602889 | N-(Cyclopropylmethyl)-N-(3-(4-(4-fl...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCN(CC2CC2)S(=O)(=O)c2cccc3cccnc23)CC1
Show InChI InChI=1S/C26H31FN4O2S/c27-23-9-11-24(12-10-23)30-18-16-29(17-19-30)14-3-15-31(20-21-7-8-21)34(32,33)25-6-1-4-22-5-2-13-28-26(22)25/h1-2,4-6,9-13,21H,3,7-8,14-20H2
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n/an/a 8.30n/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