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8 similar compounds to monomer 50116971

Compile data set for download or QSAR
Wt: 336.2
BDBM50116958
Wt: 364.3
BDBM50116943
Wt: 404.3
BDBM50116944
Wt: 378.3
BDBM50116950
Wt: 392.3
BDBM50116961
Wt: 362.3
BDBM50116964
Wt: 376.3
BDBM50116967
Wt: 390.3
BDBM50116970

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50116958,50116943,50116944,50116950,50116961,50116964,50116967,50116970   
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))
BDBM50116967
PNG
(2-[2-(6-Bromo-indol-1-yl)-ethyl]-decahydro-pyrido[...)
Show SMILES Brc1ccc2ccn(CCN3CCCN4CCCCC4C3)c2c1
Show InChI InChI=1S/C19H26BrN3/c20-17-6-5-16-7-11-23(19(16)14-17)13-12-21-8-3-10-22-9-2-1-4-18(22)15-21/h5-7,11,14,18H,1-4,8-10,12-13,15H2
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3n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD


Bioorg Med Chem Lett 12: 2451-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00438-9
BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50116967
PNG
(2-[2-(6-Bromo-indol-1-yl)-ethyl]-decahydro-pyrido[...)
Show SMILES Brc1ccc2ccn(CCN3CCCN4CCCCC4C3)c2c1
Show InChI InChI=1S/C19H26BrN3/c20-17-6-5-16-7-11-23(19(16)14-17)13-12-21-8-3-10-22-9-2-1-4-18(22)15-21/h5-7,11,14,18H,1-4,8-10,12-13,15H2
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3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50116970
PNG
(6-Bromo-1-[2-(4-cyclopentyl-[1,4]diazepan-1-yl)-et...)
Show SMILES Brc1ccc2ccn(CCN3CCCN(CC3)C3CCCC3)c2c1
Show InChI InChI=1S/C20H28BrN3/c21-18-7-6-17-8-11-24(20(17)16-18)15-13-22-9-3-10-23(14-12-22)19-4-1-2-5-19/h6-8,11,16,19H,1-5,9-10,12-15H2
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10n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD


Bioorg Med Chem Lett 12: 2451-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00438-9
BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50116943
PNG
(6-Bromo-1-[2-(4-isopropyl-[1,4]diazepan-1-yl)-ethy...)
Show SMILES CC(C)N1CCCN(CCn2ccc3ccc(Br)cc23)CC1
Show InChI InChI=1S/C18H26BrN3/c1-15(2)21-8-3-7-20(10-12-21)11-13-22-9-6-16-4-5-17(19)14-18(16)22/h4-6,9,14-15H,3,7-8,10-13H2,1-2H3
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14n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD


Bioorg Med Chem Lett 12: 2451-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00438-9
BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50116964
PNG
(6-Bromo-1-[2-(4-cyclopropyl-[1,4]diazepan-1-yl)-et...)
Show SMILES Brc1ccc2ccn(CCN3CCCN(CC3)C3CC3)c2c1
Show InChI InChI=1S/C18H24BrN3/c19-16-3-2-15-6-9-22(18(15)14-16)13-11-20-7-1-8-21(12-10-20)17-4-5-17/h2-3,6,9,14,17H,1,4-5,7-8,10-13H2
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16n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD


Bioorg Med Chem Lett 12: 2451-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00438-9
BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50116944
PNG
(6-Bromo-1-[2-(4-cyclohexyl-[1,4]diazepan-1-yl)-eth...)
Show SMILES Brc1ccc2ccn(CCN3CCCN(CC3)C3CCCCC3)c2c1
Show InChI InChI=1S/C21H30BrN3/c22-19-8-7-18-9-12-25(21(18)17-19)16-14-23-10-4-11-24(15-13-23)20-5-2-1-3-6-20/h7-9,12,17,20H,1-6,10-11,13-16H2
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17n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD


Bioorg Med Chem Lett 12: 2451-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00438-9
BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50116958
PNG
(6-Bromo-1-[2-(4-methyl-[1,4]diazepan-1-yl)-ethyl]-...)
Show SMILES CN1CCCN(CCn2ccc3ccc(Br)cc23)CC1
Show InChI InChI=1S/C16H22BrN3/c1-18-6-2-7-19(10-9-18)11-12-20-8-5-14-3-4-15(17)13-16(14)20/h3-5,8,13H,2,6-7,9-12H2,1H3
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31n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD


Bioorg Med Chem Lett 12: 2451-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00438-9
BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50116950
PNG
(6-Bromo-1-[2-(4-isobutyl-[1,4]diazepan-1-yl)-ethyl...)
Show SMILES CC(C)CN1CCCN(CCn2ccc3ccc(Br)cc23)CC1
Show InChI InChI=1S/C19H28BrN3/c1-16(2)15-22-8-3-7-21(10-11-22)12-13-23-9-6-17-4-5-18(20)14-19(17)23/h4-6,9,14,16H,3,7-8,10-13,15H2,1-2H3
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37n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD


Bioorg Med Chem Lett 12: 2451-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00438-9
BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50116961
PNG
(6-Bromo-1-{2-[4-(2,2-dimethyl-propyl)-[1,4]diazepa...)
Show SMILES CC(C)(C)CN1CCCN(CCn2ccc3ccc(Br)cc23)CC1
Show InChI InChI=1S/C20H30BrN3/c1-20(2,3)16-23-9-4-8-22(11-12-23)13-14-24-10-7-17-5-6-18(21)15-19(17)24/h5-7,10,15H,4,8-9,11-14,16H2,1-3H3
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163n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD


Bioorg Med Chem Lett 12: 2451-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00438-9
BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50116967
PNG
(2-[2-(6-Bromo-indol-1-yl)-ethyl]-decahydro-pyrido[...)
Show SMILES Brc1ccc2ccn(CCN3CCCN4CCCCC4C3)c2c1
Show InChI InChI=1S/C19H26BrN3/c20-17-6-5-16-7-11-23(19(16)14-17)13-12-21-8-3-10-22-9-2-1-4-18(22)15-21/h5-7,11,14,18H,1-4,8-10,12-13,15H2
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4.07E+3n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Compound wastested for its binding affinity towards 5-hydroxytryptamine 6 receptor


Bioorg Med Chem Lett 12: 2451-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00438-9
BindingDB Entry DOI: 10.7270/Q25T3JTZ
More data for this
Ligand-Target Pair