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12 similar compounds to monomer 50171235

Compile data set for download or QSAR
Wt: 212.2
BDBM31030
Purchase
Wt: 232.7
BDBM50015717
Wt: 288.8
BDBM50171246
Wt: 336.8
BDBM50171248
Wt: 260.7
BDBM50171237
Wt: 274.7
BDBM50171238
Wt: 260.7
BDBM50171239
Wt: 302.8
BDBM50171240
Wt: 274.3
BDBM50171241
Wt: 274.7
BDBM50171242
Wt: 288.8
BDBM50171244
Wt: 274.7
BDBM50171245

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 31030,50015717,50171246,50171248,50171237,50171238,50171239,50171240,50171241,50171242,50171244,50171245   
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 1A (5-HT1A)


(Homo sapiens (Human))
BDBM31030
PNG
(2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-ind...)
Show SMILES Cc1[nH]c2ccccc2c1C1=CCNCC1
Show InChI InChI=1S/C14H16N2/c1-10-14(11-6-8-15-9-7-11)12-4-2-3-5-13(12)16-10/h2-6,15-16H,7-9H2,1H3
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n/an/an/an/a 5.00E+4n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2WW7G03
More data for this
Ligand-Target Pair
HTR4


(GUINEA PIG)
BDBM31030
PNG
(2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-ind...)
Show SMILES Cc1[nH]c2ccccc2c1C1=CCNCC1
Show InChI InChI=1S/C14H16N2/c1-10-14(11-6-8-15-9-7-11)12-4-2-3-5-13(12)16-10/h2-6,15-16H,7-9H2,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



NeuroSearch Sweden AB

Curated by ChEMBL


Assay Description
Displacement of [3H]-GR113808 from guinea pig 5HT4 receptor


Eur J Med Chem 63: 578-88 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.006
BindingDB Entry DOI: 10.7270/Q2Z89DSR
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM31030
PNG
(2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-ind...)
Show SMILES Cc1[nH]c2ccccc2c1C1=CCNCC1
Show InChI InChI=1S/C14H16N2/c1-10-14(11-6-8-15-9-7-11)12-4-2-3-5-13(12)16-10/h2-6,15-16H,7-9H2,1H3
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n/an/a 9.63E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F769ZM
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM31030
PNG
(2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-ind...)
Show SMILES Cc1[nH]c2ccccc2c1C1=CCNCC1
Show InChI InChI=1S/C14H16N2/c1-10-14(11-6-8-15-9-7-11)12-4-2-3-5-13(12)16-10/h2-6,15-16H,7-9H2,1H3
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n/an/an/an/a>4.00E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
External Assay ID: S1P3_EC50_CS_5HT1e_Agonist Name: S1P3 Dose Response Assay Counterscreen for 5-Hydroxytryptamine(Serotonin) Receptor Subtype 1E ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2PN941W
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50015717
PNG
(5-Chloro-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-in...)
Show SMILES Clc1ccc2[nH]cc(C3=CCNCC3)c2c1
Show InChI InChI=1S/C13H13ClN2/c14-10-1-2-13-11(7-10)12(8-16-13)9-3-5-15-6-4-9/h1-3,7-8,15-16H,4-6H2
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n/an/a 26n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from rat cortex 5-hydroxytryptamine 1A receptor


J Med Chem 33: 2087-93 (1990)


Article DOI: 10.1021/jm00170a007
BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50015717
PNG
(5-Chloro-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-in...)
Show SMILES Clc1ccc2[nH]cc(C3=CCNCC3)c2c1
Show InChI InChI=1S/C13H13ClN2/c14-10-1-2-13-11(7-10)12(8-16-13)9-3-5-15-6-4-9/h1-3,7-8,15-16H,4-6H2
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n/an/a 3.30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat cortex using [3H]-5-HT


J Med Chem 33: 2087-93 (1990)


Article DOI: 10.1021/jm00170a007
BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50171238
PNG
(5-Chloro-2-isopropyl-3-(1,2,3,6-tetrahydro-pyridin...)
Show SMILES CC(C)c1[nH]c2ccc(Cl)cc2c1C1=CCNCC1
Show InChI InChI=1S/C16H19ClN2/c1-10(2)16-15(11-5-7-18-8-6-11)13-9-12(17)3-4-14(13)19-16/h3-5,9-10,18-19H,6-8H2,1-2H3
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n/an/a 100n/an/an/an/an/an/a



Carlsson Research AB

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD binding to cloned human 5-hydroxytryptamine 6 receptor expressed in HEK cells


Bioorg Med Chem Lett 15: 4230-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.067
BindingDB Entry DOI: 10.7270/Q2ZG6RST
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50171237
PNG
(5-Chloro-2-methyl-3-(1-methyl-1,2,3,6-tetrahydro-p...)
Show SMILES CN1CCC(=CC1)c1c(C)[nH]c2ccc(Cl)cc12
Show InChI InChI=1S/C15H17ClN2/c1-10-15(11-5-7-18(2)8-6-11)13-9-12(16)3-4-14(13)17-10/h3-5,9,17H,6-8H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Carlsson Research AB

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD binding to cloned human 5-hydroxytryptamine 6 receptor expressed in HEK cells


Bioorg Med Chem Lett 15: 4230-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.067
BindingDB Entry DOI: 10.7270/Q2ZG6RST
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50171239
PNG
(5-Chloro-2-ethyl-3-(1,2,3,6-tetrahydro-pyridin-4-y...)
Show SMILES CCc1[nH]c2ccc(Cl)cc2c1C1=CCNCC1
Show InChI InChI=1S/C15H17ClN2/c1-2-13-15(10-5-7-17-8-6-10)12-9-11(16)3-4-14(12)18-13/h3-5,9,17-18H,2,6-8H2,1H3
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n/an/a 30n/an/an/an/an/an/a



Carlsson Research AB

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD binding to cloned human 5-hydroxytryptamine 6 receptor expressed in HEK cells


Bioorg Med Chem Lett 15: 4230-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.067
BindingDB Entry DOI: 10.7270/Q2ZG6RST
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50171240
PNG
(3-(1-Butyl-1,2,3,6-tetrahydro-pyridin-4-yl)-5-chlo...)
Show SMILES CCCCN1CCC(=CC1)c1c(C)[nH]c2ccc(Cl)cc12
Show InChI InChI=1S/C18H23ClN2/c1-3-4-9-21-10-7-14(8-11-21)18-13(2)20-17-6-5-15(19)12-16(17)18/h5-7,12,20H,3-4,8-11H2,1-2H3
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n/an/a 50n/an/an/an/an/an/a



Carlsson Research AB

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD binding to cloned human 5-hydroxytryptamine 6 receptor expressed in HEK cells


Bioorg Med Chem Lett 15: 4230-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.067
BindingDB Entry DOI: 10.7270/Q2ZG6RST
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50171241
PNG
(2-Phenyl-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-in...)
Show SMILES C1CC(=CCN1)c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C19H18N2/c1-2-6-15(7-3-1)19-18(14-10-12-20-13-11-14)16-8-4-5-9-17(16)21-19/h1-10,20-21H,11-13H2
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n/an/a 2n/an/an/an/an/an/a



Carlsson Research AB

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD binding to cloned human 5-hydroxytryptamine 6 receptor expressed in HEK cells


Bioorg Med Chem Lett 15: 4230-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.067
BindingDB Entry DOI: 10.7270/Q2ZG6RST
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50171242
PNG
(5-Chloro-3-(1-ethyl-1,2,3,6-tetrahydro-pyridin-4-y...)
Show SMILES CCN1CCC(=CC1)c1c(C)[nH]c2ccc(Cl)cc12
Show InChI InChI=1S/C16H19ClN2/c1-3-19-8-6-12(7-9-19)16-11(2)18-15-5-4-13(17)10-14(15)16/h4-6,10,18H,3,7-9H2,1-2H3
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n/an/a 30n/an/an/an/an/an/a



Carlsson Research AB

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD binding to cloned human 5-hydroxytryptamine 6 receptor expressed in HEK cells


Bioorg Med Chem Lett 15: 4230-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.067
BindingDB Entry DOI: 10.7270/Q2ZG6RST
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50171246
PNG
(5-Chloro-2-methyl-3-(1-propyl-1,2,3,6-tetrahydro-p...)
Show SMILES CCCN1CCC(=CC1)c1c(C)[nH]c2ccc(Cl)cc12
Show InChI InChI=1S/C17H21ClN2/c1-3-8-20-9-6-13(7-10-20)17-12(2)19-16-5-4-14(18)11-15(16)17/h4-6,11,19H,3,7-10H2,1-2H3
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n/an/a 60n/an/an/an/an/an/a



Carlsson Research AB

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD binding to cloned human 5-hydroxytryptamine 6 receptor expressed in HEK cells


Bioorg Med Chem Lett 15: 4230-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.067
BindingDB Entry DOI: 10.7270/Q2ZG6RST
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50171244
PNG
(5-Chloro-2-ethyl-3-(1-ethyl-1,2,3,6-tetrahydro-pyr...)
Show SMILES CCN1CCC(=CC1)c1c(CC)[nH]c2ccc(Cl)cc12
Show InChI InChI=1S/C17H21ClN2/c1-3-15-17(12-7-9-20(4-2)10-8-12)14-11-13(18)5-6-16(14)19-15/h5-7,11,19H,3-4,8-10H2,1-2H3
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n/an/a 70n/an/an/an/an/an/a



Carlsson Research AB

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD binding to cloned human 5-hydroxytryptamine 6 receptor expressed in HEK cells


Bioorg Med Chem Lett 15: 4230-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.067
BindingDB Entry DOI: 10.7270/Q2ZG6RST
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50171245
PNG
(5-Chloro-2-propyl-3-(1,2,3,6-tetrahydro-pyridin-4-...)
Show SMILES CCCc1[nH]c2ccc(Cl)cc2c1C1=CCNCC1
Show InChI InChI=1S/C16H19ClN2/c1-2-3-15-16(11-6-8-18-9-7-11)13-10-12(17)4-5-14(13)19-15/h4-6,10,18-19H,2-3,7-9H2,1H3
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n/an/a 40n/an/an/an/an/an/a



Carlsson Research AB

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD binding to cloned human 5-hydroxytryptamine 6 receptor expressed in HEK cells


Bioorg Med Chem Lett 15: 4230-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.067
BindingDB Entry DOI: 10.7270/Q2ZG6RST
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50171248
PNG
(3-(1-Benzyl-1,2,3,6-tetrahydro-pyridin-4-yl)-5-chl...)
Show SMILES Cc1[nH]c2ccc(Cl)cc2c1C1=CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H21ClN2/c1-15-21(19-13-18(22)7-8-20(19)23-15)17-9-11-24(12-10-17)14-16-5-3-2-4-6-16/h2-9,13,23H,10-12,14H2,1H3
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n/an/a 600n/an/an/an/an/an/a



Carlsson Research AB

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD binding to cloned human 5-hydroxytryptamine 6 receptor expressed in HEK cells


Bioorg Med Chem Lett 15: 4230-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.067
BindingDB Entry DOI: 10.7270/Q2ZG6RST
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM31030
PNG
(2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-ind...)
Show SMILES Cc1[nH]c2ccccc2c1C1=CCNCC1
Show InChI InChI=1S/C14H16N2/c1-10-14(11-6-8-15-9-7-11)12-4-2-3-5-13(12)16-10/h2-6,15-16H,7-9H2,1H3
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n/an/an/an/a 194n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Q52MZM
More data for this
Ligand-Target Pair