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12 similar compounds to monomer 50058209

Compile data set for download or QSAR
Wt: 517.6
BDBM50058157
Wt: 475.5
BDBM50058215
Wt: 457.6
BDBM50058219
Wt: 471.6
BDBM50058071
Wt: 471.6
BDBM50058151
Wt: 471.6
BDBM50058156
Wt: 487.6
BDBM50058159
Wt: 487.6
BDBM50058162
Wt: 492.0
BDBM50058211
Wt: 492.0
BDBM50058214
Wt: 475.5
BDBM50058216
Wt: 471.6
BDBM50058218

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50058157,50058215,50058219,50058071,50058151,50058156,50058159,50058162,50058211,50058214,50058216,50058218   
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


(Homo sapiens (Human))
BDBM50058214
PNG
(CHEMBL3326982)
Show SMILES COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2ccccc2Cl)CC1
Show InChI InChI=1S/C29H34ClN3O2/c1-35-28-15-7-6-14-27(28)33-20-18-32(19-21-33)17-9-8-16-29(34)31-22-23-10-2-3-11-24(23)25-12-4-5-13-26(25)30/h2-7,10-15H,8-9,16-22H2,1H3,(H,31,34)
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8.70n/an/an/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5-HT7R (unknown origin) expressed in CHO-K1 cells by liquid scintillation counting method


Bioorg Med Chem 22: 4587-96 (2014)


Article DOI: 10.1016/j.bmc.2014.07.026
BindingDB Entry DOI: 10.7270/Q22N53ZG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50058214
PNG
(CHEMBL3326982)
Show SMILES COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2ccccc2Cl)CC1
Show InChI InChI=1S/C29H34ClN3O2/c1-35-28-15-7-6-14-27(28)33-20-18-32(19-21-33)17-9-8-16-29(34)31-22-23-10-2-3-11-24(23)25-12-4-5-13-26(25)30/h2-7,10-15H,8-9,16-22H2,1H3,(H,31,34)
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20n/an/an/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT1A (unknown origin)


Bioorg Med Chem 22: 4587-96 (2014)


Article DOI: 10.1016/j.bmc.2014.07.026
BindingDB Entry DOI: 10.7270/Q22N53ZG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50058162
PNG
(CHEMBL3326986)
Show SMILES COc1cccc(c1)-c1ccccc1CNC(=O)CCCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C30H37N3O3/c1-35-26-12-9-11-24(22-26)27-13-4-3-10-25(27)23-31-30(34)16-7-8-17-32-18-20-33(21-19-32)28-14-5-6-15-29(28)36-2/h3-6,9-15,22H,7-8,16-21,23H2,1-2H3,(H,31,34)
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22n/an/an/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5-HT7R (unknown origin) expressed in CHO-K1 cells by liquid scintillation counting method


Bioorg Med Chem 22: 4587-96 (2014)


Article DOI: 10.1016/j.bmc.2014.07.026
BindingDB Entry DOI: 10.7270/Q22N53ZG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50058214
PNG
(CHEMBL3326982)
Show SMILES COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2ccccc2Cl)CC1
Show InChI InChI=1S/C29H34ClN3O2/c1-35-28-15-7-6-14-27(28)33-20-18-32(19-21-33)17-9-8-16-29(34)31-22-23-10-2-3-11-24(23)25-12-4-5-13-26(25)30/h2-7,10-15H,8-9,16-22H2,1H3,(H,31,34)
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26n/an/an/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2C (unknown origin)


Bioorg Med Chem 22: 4587-96 (2014)


Article DOI: 10.1016/j.bmc.2014.07.026
BindingDB Entry DOI: 10.7270/Q22N53ZG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50058156
PNG
(CHEMBL3326989)
Show SMILES COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2ccccc2C)CC1
Show InChI InChI=1S/C30H37N3O2/c1-24-11-3-5-13-26(24)27-14-6-4-12-25(27)23-31-30(34)17-9-10-18-32-19-21-33(22-20-32)28-15-7-8-16-29(28)35-2/h3-8,11-16H,9-10,17-23H2,1-2H3,(H,31,34)
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26n/an/an/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5-HT7R (unknown origin) expressed in CHO-K1 cells by liquid scintillation counting method


Bioorg Med Chem 22: 4587-96 (2014)


Article DOI: 10.1016/j.bmc.2014.07.026
BindingDB Entry DOI: 10.7270/Q22N53ZG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50058211
PNG
(CHEMBL3326984)
Show SMILES COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C29H34ClN3O2/c1-35-28-11-5-4-10-27(28)33-20-18-32(19-21-33)17-7-6-12-29(34)31-22-24-8-2-3-9-26(24)23-13-15-25(30)16-14-23/h2-5,8-11,13-16H,6-7,12,17-22H2,1H3,(H,31,34)
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26n/an/an/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5-HT7R (unknown origin) expressed in CHO-K1 cells by liquid scintillation counting method


Bioorg Med Chem 22: 4587-96 (2014)


Article DOI: 10.1016/j.bmc.2014.07.026
BindingDB Entry DOI: 10.7270/Q22N53ZG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50058157
PNG
(CHEMBL3326988)
Show SMILES COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2c(OC)cccc2OC)CC1
Show InChI InChI=1S/C31H39N3O4/c1-36-27-14-7-6-13-26(27)34-21-19-33(20-22-34)18-9-8-17-30(35)32-23-24-11-4-5-12-25(24)31-28(37-2)15-10-16-29(31)38-3/h4-7,10-16H,8-9,17-23H2,1-3H3,(H,32,35)
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32n/an/an/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5-HT7R (unknown origin) expressed in CHO-K1 cells by liquid scintillation counting method


Bioorg Med Chem 22: 4587-96 (2014)


Article DOI: 10.1016/j.bmc.2014.07.026
BindingDB Entry DOI: 10.7270/Q22N53ZG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50058216
PNG
(CHEMBL3326980)
Show SMILES COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2cccc(F)c2)CC1
Show InChI InChI=1S/C29H34FN3O2/c1-35-28-14-5-4-13-27(28)33-19-17-32(18-20-33)16-7-6-15-29(34)31-22-24-9-2-3-12-26(24)23-10-8-11-25(30)21-23/h2-5,8-14,21H,6-7,15-20,22H2,1H3,(H,31,34)
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35n/an/an/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5-HT7R (unknown origin) expressed in CHO-K1 cells by liquid scintillation counting method


Bioorg Med Chem 22: 4587-96 (2014)


Article DOI: 10.1016/j.bmc.2014.07.026
BindingDB Entry DOI: 10.7270/Q22N53ZG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50058215
PNG
(CHEMBL3326981)
Show SMILES COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2ccc(F)cc2)CC1
Show InChI InChI=1S/C29H34FN3O2/c1-35-28-11-5-4-10-27(28)33-20-18-32(19-21-33)17-7-6-12-29(34)31-22-24-8-2-3-9-26(24)23-13-15-25(30)16-14-23/h2-5,8-11,13-16H,6-7,12,17-22H2,1H3,(H,31,34)
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35n/an/an/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5-HT7R (unknown origin) expressed in CHO-K1 cells by liquid scintillation counting method


Bioorg Med Chem 22: 4587-96 (2014)


Article DOI: 10.1016/j.bmc.2014.07.026
BindingDB Entry DOI: 10.7270/Q22N53ZG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50058219
PNG
(CHEMBL3325464)
Show SMILES COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2ccccc2)CC1
Show InChI InChI=1S/C29H35N3O2/c1-34-28-16-8-7-15-27(28)32-21-19-31(20-22-32)18-10-9-17-29(33)30-23-25-13-5-6-14-26(25)24-11-3-2-4-12-24/h2-8,11-16H,9-10,17-23H2,1H3,(H,30,33)
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38n/an/an/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5-HT7R (unknown origin) expressed in CHO-K1 cells by liquid scintillation counting method


Bioorg Med Chem 22: 4587-96 (2014)


Article DOI: 10.1016/j.bmc.2014.07.026
BindingDB Entry DOI: 10.7270/Q22N53ZG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50058159
PNG
(CHEMBL3326987)
Show SMILES COc1ccc(cc1)-c1ccccc1CNC(=O)CCCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C30H37N3O3/c1-35-26-16-14-24(15-17-26)27-10-4-3-9-25(27)23-31-30(34)13-7-8-18-32-19-21-33(22-20-32)28-11-5-6-12-29(28)36-2/h3-6,9-12,14-17H,7-8,13,18-23H2,1-2H3,(H,31,34)
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44n/an/an/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5-HT7R (unknown origin) expressed in CHO-K1 cells by liquid scintillation counting method


Bioorg Med Chem 22: 4587-96 (2014)


Article DOI: 10.1016/j.bmc.2014.07.026
BindingDB Entry DOI: 10.7270/Q22N53ZG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50058218
PNG
(CHEMBL3326978)
Show SMILES COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2-c2ccccc2)CC1
Show InChI InChI=1S/C30H37N3O2/c1-35-29-17-10-9-16-28(29)33-22-20-32(21-23-33)19-11-3-6-18-30(34)31-24-26-14-7-8-15-27(26)25-12-4-2-5-13-25/h2,4-5,7-10,12-17H,3,6,11,18-24H2,1H3,(H,31,34)
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44n/an/an/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5-HT7R (unknown origin) expressed in CHO-K1 cells by liquid scintillation counting method


Bioorg Med Chem 22: 4587-96 (2014)


Article DOI: 10.1016/j.bmc.2014.07.026
BindingDB Entry DOI: 10.7270/Q22N53ZG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50058151
PNG
(CHEMBL3326990)
Show SMILES COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2cccc(C)c2)CC1
Show InChI InChI=1S/C30H37N3O2/c1-24-10-9-12-25(22-24)27-13-4-3-11-26(27)23-31-30(34)16-7-8-17-32-18-20-33(21-19-32)28-14-5-6-15-29(28)35-2/h3-6,9-15,22H,7-8,16-21,23H2,1-2H3,(H,31,34)
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48n/an/an/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5-HT7R (unknown origin) expressed in CHO-K1 cells by liquid scintillation counting method


Bioorg Med Chem 22: 4587-96 (2014)


Article DOI: 10.1016/j.bmc.2014.07.026
BindingDB Entry DOI: 10.7270/Q22N53ZG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50058071
PNG
(CHEMBL3326991)
Show SMILES COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2ccc(C)cc2)CC1
Show InChI InChI=1S/C30H37N3O2/c1-24-14-16-25(17-15-24)27-10-4-3-9-26(27)23-31-30(34)13-7-8-18-32-19-21-33(22-20-32)28-11-5-6-12-29(28)35-2/h3-6,9-12,14-17H,7-8,13,18-23H2,1-2H3,(H,31,34)
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66n/an/an/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5-HT7R (unknown origin) expressed in CHO-K1 cells by liquid scintillation counting method


Bioorg Med Chem 22: 4587-96 (2014)


Article DOI: 10.1016/j.bmc.2014.07.026
BindingDB Entry DOI: 10.7270/Q22N53ZG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50058214
PNG
(CHEMBL3326982)
Show SMILES COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2ccccc2Cl)CC1
Show InChI InChI=1S/C29H34ClN3O2/c1-35-28-15-7-6-14-27(28)33-20-18-32(19-21-33)17-9-8-16-29(34)31-22-23-10-2-3-11-24(23)25-12-4-5-13-26(25)30/h2-7,10-15H,8-9,16-22H2,1H3,(H,31,34)
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131n/an/an/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT1B (unknown origin)


Bioorg Med Chem 22: 4587-96 (2014)


Article DOI: 10.1016/j.bmc.2014.07.026
BindingDB Entry DOI: 10.7270/Q22N53ZG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50058214
PNG
(CHEMBL3326982)
Show SMILES COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2ccccc2Cl)CC1
Show InChI InChI=1S/C29H34ClN3O2/c1-35-28-15-7-6-14-27(28)33-20-18-32(19-21-33)17-9-8-16-29(34)31-22-23-10-2-3-11-24(23)25-12-4-5-13-26(25)30/h2-7,10-15H,8-9,16-22H2,1H3,(H,31,34)
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418n/an/an/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT1D (unknown origin)


Bioorg Med Chem 22: 4587-96 (2014)


Article DOI: 10.1016/j.bmc.2014.07.026
BindingDB Entry DOI: 10.7270/Q22N53ZG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50058214
PNG
(CHEMBL3326982)
Show SMILES COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2ccccc2Cl)CC1
Show InChI InChI=1S/C29H34ClN3O2/c1-35-28-15-7-6-14-27(28)33-20-18-32(19-21-33)17-9-8-16-29(34)31-22-23-10-2-3-11-24(23)25-12-4-5-13-26(25)30/h2-7,10-15H,8-9,16-22H2,1H3,(H,31,34)
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478n/an/an/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2A (unknown origin)


Bioorg Med Chem 22: 4587-96 (2014)


Article DOI: 10.1016/j.bmc.2014.07.026
BindingDB Entry DOI: 10.7270/Q22N53ZG
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50058214
PNG
(CHEMBL3326982)
Show SMILES COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2ccccc2Cl)CC1
Show InChI InChI=1S/C29H34ClN3O2/c1-35-28-15-7-6-14-27(28)33-20-18-32(19-21-33)17-9-8-16-29(34)31-22-23-10-2-3-11-24(23)25-12-4-5-13-26(25)30/h2-7,10-15H,8-9,16-22H2,1H3,(H,31,34)
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1.18E+3n/an/an/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT5A (unknown origin)


Bioorg Med Chem 22: 4587-96 (2014)


Article DOI: 10.1016/j.bmc.2014.07.026
BindingDB Entry DOI: 10.7270/Q22N53ZG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50058214
PNG
(CHEMBL3326982)
Show SMILES COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2ccccc2Cl)CC1
Show InChI InChI=1S/C29H34ClN3O2/c1-35-28-15-7-6-14-27(28)33-20-18-32(19-21-33)17-9-8-16-29(34)31-22-23-10-2-3-11-24(23)25-12-4-5-13-26(25)30/h2-7,10-15H,8-9,16-22H2,1H3,(H,31,34)
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1.52E+3n/an/an/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT6 (unknown origin)


Bioorg Med Chem 22: 4587-96 (2014)


Article DOI: 10.1016/j.bmc.2014.07.026
BindingDB Entry DOI: 10.7270/Q22N53ZG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50058214
PNG
(CHEMBL3326982)
Show SMILES COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2ccccc2Cl)CC1
Show InChI InChI=1S/C29H34ClN3O2/c1-35-28-15-7-6-14-27(28)33-20-18-32(19-21-33)17-9-8-16-29(34)31-22-23-10-2-3-11-24(23)25-12-4-5-13-26(25)30/h2-7,10-15H,8-9,16-22H2,1H3,(H,31,34)
PDB

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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT3 (unknown origin)


Bioorg Med Chem 22: 4587-96 (2014)


Article DOI: 10.1016/j.bmc.2014.07.026
BindingDB Entry DOI: 10.7270/Q22N53ZG
More data for this
Ligand-Target Pair