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11 similar compounds to monomer 50001915

Compile data set for download or QSAR
Wt: 238.7
BDBM50005123
Purchase
Wt: 210.7
BDBM50005124
Purchase
Wt: 236.7
BDBM50005126
Wt: 252.7
BDBM50005133
Wt: 252.7
BDBM50005134
Wt: 224.7
BDBM50005139
Wt: 238.7
BDBM50005142
Wt: 240.7
BDBM50005143
Purchase
Wt: 225.7
BDBM50053616
Wt: 245.1
BDBM50394929
Wt: 231.1
BDBM50394930
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50005123,50005124,50005126,50005133,50005134,50005139,50005142,50005143,50053616,50394929,50394930   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50005134
PNG
(1-Butyl-4-(3-chloro-phenyl)-piperazine | CHEMBL266...)
Show SMILES CCCCN1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C14H21ClN2/c1-2-3-7-16-8-10-17(11-9-16)14-6-4-5-13(15)12-14/h4-6,12H,2-3,7-11H2,1H3
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18n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-8-hydroxy-2-(di-n-propylamino) tetralin binding from 5-hydroxytryptamine 1A receptor site in rat brain hippocampus


J Med Chem 35: 2369-74 (1992)


Article DOI: 10.1021/jm00091a004
BindingDB Entry DOI: 10.7270/Q2F18XP5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50005134
PNG
(1-Butyl-4-(3-chloro-phenyl)-piperazine | CHEMBL266...)
Show SMILES CCCCN1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C14H21ClN2/c1-2-3-7-16-8-10-17(11-9-16)14-6-4-5-13(15)12-14/h4-6,12H,2-3,7-11H2,1H3
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18n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand [3H]-2-(di-N-propylamino)-8-hydroxytetralin from 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenate


J Med Chem 36: 2751-60 (1993)


Article DOI: 10.1021/jm00071a006
BindingDB Entry DOI: 10.7270/Q2CZ367F
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50394929
PNG
(CHEMBL2165673)
Show SMILES CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C11H14Cl2N2/c1-14-5-7-15(8-6-14)10-4-2-3-9(12)11(10)13/h2-4H,5-8H2,1H3
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45.9n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human D2L receptor expressed in HEK293 cells after 60 mins by gamma counting analysis


J Med Chem 55: 6689-99 (2012)


Article DOI: 10.1021/jm300482h
BindingDB Entry DOI: 10.7270/Q2Q81F6B
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50394929
PNG
(CHEMBL2165673)
Show SMILES CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C11H14Cl2N2/c1-14-5-7-15(8-6-14)10-4-2-3-9(12)11(10)13/h2-4H,5-8H2,1H3
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54.6n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human D3 receptor expressed in HEK293 cells after 60 mins by gamma counting analysis


J Med Chem 55: 6689-99 (2012)


Article DOI: 10.1021/jm300482h
BindingDB Entry DOI: 10.7270/Q2Q81F6B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50005123
PNG
(1-(3-Chloro-phenyl)-4-propyl-piperazine | 1-(3-Chl...)
Show SMILES CCCN1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C13H19ClN2/c1-2-6-15-7-9-16(10-8-15)13-5-3-4-12(14)11-13/h3-5,11H,2,6-10H2,1H3
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122n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-8-hydroxy-2-(di-n-propylamino) tetralin binding from 5-hydroxytryptamine 1A receptor site in rat brain hippocampus


J Med Chem 35: 2369-74 (1992)


Article DOI: 10.1021/jm00091a004
BindingDB Entry DOI: 10.7270/Q2F18XP5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50005123
PNG
(1-(3-Chloro-phenyl)-4-propyl-piperazine | 1-(3-Chl...)
Show SMILES CCCN1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C13H19ClN2/c1-2-6-15-7-9-16(10-8-15)13-5-3-4-12(14)11-13/h3-5,11H,2,6-10H2,1H3
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122n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand [3H]-2-(di-N-propylamino)-8-hydroxytetralin from 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenate


J Med Chem 36: 2751-60 (1993)


Article DOI: 10.1021/jm00071a006
BindingDB Entry DOI: 10.7270/Q2CZ367F
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50005133
PNG
(1-sec-Butyl-4-(3-chloro-phenyl)-piperazine | CHEMB...)
Show SMILES CCC(C)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C14H21ClN2/c1-3-12(2)16-7-9-17(10-8-16)14-6-4-5-13(15)11-14/h4-6,11-12H,3,7-10H2,1-2H3
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127n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-8-hydroxy-2-(di-n-propylamino) tetralin binding from 5-hydroxytryptamine 1A receptor site in rat brain hippocampus


J Med Chem 35: 2369-74 (1992)


Article DOI: 10.1021/jm00091a004
BindingDB Entry DOI: 10.7270/Q2F18XP5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50394930
PNG
(CHEMBL1424807)
Show SMILES Clc1cccc(N2CCNCC2)c1Cl
Show InChI InChI=1S/C10H12Cl2N2/c11-8-2-1-3-9(10(8)12)14-6-4-13-5-7-14/h1-3,13H,4-7H2
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137n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human D2L receptor expressed in HEK293 cells after 60 mins by gamma counting analysis


J Med Chem 55: 6689-99 (2012)


Article DOI: 10.1021/jm300482h
BindingDB Entry DOI: 10.7270/Q2Q81F6B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50005124
PNG
(1-(3-Chloro-phenyl)-4-methyl-piperazine | CHEMBL26...)
Show SMILES CN1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C11H15ClN2/c1-13-5-7-14(8-6-13)11-4-2-3-10(12)9-11/h2-4,9H,5-8H2,1H3
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152n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-8-hydroxy-2-(di-n-propylamino) tetralin binding from 5-hydroxytryptamine 1A receptor site in rat brain hippocampus


J Med Chem 35: 2369-74 (1992)


Article DOI: 10.1021/jm00091a004
BindingDB Entry DOI: 10.7270/Q2F18XP5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50005124
PNG
(1-(3-Chloro-phenyl)-4-methyl-piperazine | CHEMBL26...)
Show SMILES CN1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C11H15ClN2/c1-13-5-7-14(8-6-13)11-4-2-3-10(12)9-11/h2-4,9H,5-8H2,1H3
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152n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand [3H]-2-(di-N-propylamino)-8-hydroxytetralin from 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenate


J Med Chem 36: 2751-60 (1993)


Article DOI: 10.1021/jm00071a006
BindingDB Entry DOI: 10.7270/Q2CZ367F
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50005142
PNG
(1-(3-Chloro-phenyl)-4-isopropyl-piperazine | CHEMB...)
Show SMILES CC(C)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C13H19ClN2/c1-11(2)15-6-8-16(9-7-15)13-5-3-4-12(14)10-13/h3-5,10-11H,6-9H2,1-2H3
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159n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-8-hydroxy-2-(di-n-propylamino) tetralin binding from 5-hydroxytryptamine 1A receptor site in rat brain hippocampus


J Med Chem 35: 2369-74 (1992)


Article DOI: 10.1021/jm00091a004
BindingDB Entry DOI: 10.7270/Q2F18XP5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50005142
PNG
(1-(3-Chloro-phenyl)-4-isopropyl-piperazine | CHEMB...)
Show SMILES CC(C)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C13H19ClN2/c1-11(2)15-6-8-16(9-7-15)13-5-3-4-12(14)10-13/h3-5,10-11H,6-9H2,1-2H3
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159n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand [3H]-2-(di-N-propylamino)-8-hydroxytetralin from 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenate


J Med Chem 36: 2751-60 (1993)


Article DOI: 10.1021/jm00071a006
BindingDB Entry DOI: 10.7270/Q2CZ367F
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50394930
PNG
(CHEMBL1424807)
Show SMILES Clc1cccc(N2CCNCC2)c1Cl
Show InChI InChI=1S/C10H12Cl2N2/c11-8-2-1-3-9(10(8)12)14-6-4-13-5-7-14/h1-3,13H,4-7H2
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197n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human D3 receptor expressed in HEK293 cells after 60 mins by gamma counting analysis


J Med Chem 55: 6689-99 (2012)


Article DOI: 10.1021/jm300482h
BindingDB Entry DOI: 10.7270/Q2Q81F6B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50005143
PNG
(2-[4-(3-Chloro-phenyl)-piperazin-1-yl]-ethanol | C...)
Show SMILES OCCN1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C12H17ClN2O/c13-11-2-1-3-12(10-11)15-6-4-14(5-7-15)8-9-16/h1-3,10,16H,4-9H2
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202n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-8-hydroxy-2-(di-n-propylamino) tetralin binding from 5-hydroxytryptamine 1A receptor site in rat brain hippocampus


J Med Chem 35: 2369-74 (1992)


Article DOI: 10.1021/jm00091a004
BindingDB Entry DOI: 10.7270/Q2F18XP5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50005139
PNG
(1-(3-Chloro-phenyl)-4-ethyl-piperazine | CHEMBL413...)
Show SMILES CCN1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C12H17ClN2/c1-2-14-6-8-15(9-7-14)12-5-3-4-11(13)10-12/h3-5,10H,2,6-9H2,1H3
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220n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand [3H]-2-(di-N-propylamino)-8-hydroxytetralin from 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenate


J Med Chem 36: 2751-60 (1993)


Article DOI: 10.1021/jm00071a006
BindingDB Entry DOI: 10.7270/Q2CZ367F
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50005139
PNG
(1-(3-Chloro-phenyl)-4-ethyl-piperazine | CHEMBL413...)
Show SMILES CCN1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C12H17ClN2/c1-2-14-6-8-15(9-7-14)12-5-3-4-11(13)10-12/h3-5,10H,2,6-9H2,1H3
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220n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-8-hydroxy-2-(di-n-propylamino) tetralin binding from 5-hydroxytryptamine 1A receptor site in rat brain hippocampus


J Med Chem 35: 2369-74 (1992)


Article DOI: 10.1021/jm00091a004
BindingDB Entry DOI: 10.7270/Q2F18XP5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50005126
PNG
(1-Allyl-4-(3-chloro-phenyl)-piperazine | CHEMBL767...)
Show SMILES Clc1cccc(c1)N1CCN(CC=C)CC1
Show InChI InChI=1S/C13H17ClN2/c1-2-6-15-7-9-16(10-8-15)13-5-3-4-12(14)11-13/h2-5,11H,1,6-10H2
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251n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-8-hydroxy-2-(di-n-propylamino) tetralin binding from 5-hydroxytryptamine 1A receptor site in rat brain hippocampus


J Med Chem 35: 2369-74 (1992)


Article DOI: 10.1021/jm00091a004
BindingDB Entry DOI: 10.7270/Q2F18XP5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50394930
PNG
(CHEMBL1424807)
Show SMILES Clc1cccc(N2CCNCC2)c1Cl
Show InChI InChI=1S/C10H12Cl2N2/c11-8-2-1-3-9(10(8)12)14-6-4-13-5-7-14/h1-3,13H,4-7H2
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1.16E+3n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2L receptor expressed in FlpIn CHO cell membrane after 3 hrs by liquid scintillation counting analysis


J Med Chem 57: 4924-39 (2014)


Article DOI: 10.1021/jm500457x
BindingDB Entry DOI: 10.7270/Q29Z96FS
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50053616
PNG
(4-(3-Chloro-phenyl)-1,1-dimethyl-piperazin-1-ium |...)
Show SMILES C[N+]1(C)CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C12H18ClN2/c1-15(2)8-6-14(7-9-15)12-5-3-4-11(13)10-12/h3-5,10H,6-9H2,1-2H3/q+1
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1.45E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-GR-65,630 binding to 5-hydroxytryptamine 3 receptor expressed in NG 108-15 cells


J Med Chem 39: 4017-26 (1996)


Article DOI: 10.1021/jm9603936
BindingDB Entry DOI: 10.7270/Q23F4NQT
More data for this
Ligand-Target Pair