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4 similar compounds to monomer 50171884

Compile data set for download or QSAR
Wt: 397.4
BDBM50171893
Wt: 455.5
BDBM50248787
Wt: 469.5
BDBM50248960
Wt: 431.5
BDBM50346375

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50171893,50248787,50248960,50346375   
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))
BDBM50346375
PNG
(4-[3-[4-(naphthalen)piperazin-1-yl]propoxy]-4-aza-...)
Show SMILES O=C1C2C3CC(C=C3)C2C(=O)N1OCCCN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C26H29N3O3/c30-25-23-19-9-10-20(17-19)24(23)26(31)29(25)32-16-4-11-27-12-14-28(15-13-27)22-8-3-6-18-5-1-2-7-21(18)22/h1-3,5-10,19-20,23-24H,4,11-17H2
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0.293n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in Sprague-Dawley rat brain cortex homogenates after 30 mins by liquid scintillation counting


Eur J Med Chem 46: 2206-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.001
BindingDB Entry DOI: 10.7270/Q2M32W4J
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50248787
PNG
(1-Methoxy-4-{3-[4-(2-methoxy-phenyl)-piperazin-1-y...)
Show SMILES COc1ccccc1N1CCN(CCCON2C(=O)C3C(C2=O)C2(CCC3C=C2)OC)CC1
Show InChI InChI=1S/C25H33N3O5/c1-31-20-7-4-3-6-19(20)27-15-13-26(14-16-27)12-5-17-33-28-23(29)21-18-8-10-25(32-2,11-9-18)22(21)24(28)30/h3-4,6-8,10,18,21-22H,5,9,11-17H2,1-2H3
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31n/an/an/an/an/an/an/an/a



Institute of Pharmacology of the Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat hippocampal membranes


Eur J Med Chem 44: 152-64 (2008)


Article DOI: 10.1016/j.ejmech.2008.03.019
BindingDB Entry DOI: 10.7270/Q2513Z07
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50171893
PNG
(4-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethoxy}...)
Show SMILES COc1ccccc1N1CCN(CCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1
Show InChI InChI=1S/C22H27N3O4/c1-28-18-5-3-2-4-17(18)24-10-8-23(9-11-24)12-13-29-25-21(26)19-15-6-7-16(14-15)20(19)22(25)27/h2-7,15-16,19-20H,8-14H2,1H3
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45n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of [3H]-8-OH-DPAT binding to Serotonin 5-HT1A receptor from rat brain cortex


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50346375
PNG
(4-[3-[4-(naphthalen)piperazin-1-yl]propoxy]-4-aza-...)
Show SMILES O=C1C2C3CC(C=C3)C2C(=O)N1OCCCN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C26H29N3O3/c30-25-23-19-9-10-20(17-19)24(23)26(31)29(25)32-16-4-11-27-12-14-28(15-13-27)22-8-3-6-18-5-1-2-7-21(18)22/h1-3,5-10,19-20,23-24H,4,11-17H2
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91.8n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from 5HT2A receptor in Sprague-Dawley rat frontal cortical homogenates after 15 mins


Eur J Med Chem 46: 2206-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.001
BindingDB Entry DOI: 10.7270/Q2M32W4J
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50248960
PNG
(4-{3-[4-(2-Methoxyphenyl)piperazin-1-yl]propoxy}-1...)
Show SMILES COc1ccccc1N1CCN(CCCON2C(=O)C3C(C2=O)C2(C)CC(C)C3C(=O)C2)CC1
Show InChI InChI=1S/C26H35N3O5/c1-17-15-26(2)16-19(30)21(17)22-23(26)25(32)29(24(22)31)34-14-6-9-27-10-12-28(13-11-27)18-7-4-5-8-20(18)33-3/h4-5,7-8,17,21-23H,6,9-16H2,1-3H3
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124n/an/an/an/an/an/an/an/a



Institute of Pharmacology of the Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat hippocampal membranes


Eur J Med Chem 44: 152-64 (2008)


Article DOI: 10.1016/j.ejmech.2008.03.019
BindingDB Entry DOI: 10.7270/Q2513Z07
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50346375
PNG
(4-[3-[4-(naphthalen)piperazin-1-yl]propoxy]-4-aza-...)
Show SMILES O=C1C2C3CC(C=C3)C2C(=O)N1OCCCN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C26H29N3O3/c30-25-23-19-9-10-20(17-19)24(23)26(31)29(25)32-16-4-11-27-12-14-28(15-13-27)22-8-3-6-18-5-1-2-7-21(18)22/h1-3,5-10,19-20,23-24H,4,11-17H2
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263n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat corpora striatum homogenates after 15 mins by liquid scintillation counting


Eur J Med Chem 46: 2206-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.001
BindingDB Entry DOI: 10.7270/Q2M32W4J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50248960
PNG
(4-{3-[4-(2-Methoxyphenyl)piperazin-1-yl]propoxy}-1...)
Show SMILES COc1ccccc1N1CCN(CCCON2C(=O)C3C(C2=O)C2(C)CC(C)C3C(=O)C2)CC1
Show InChI InChI=1S/C26H35N3O5/c1-17-15-26(2)16-19(30)21(17)22-23(26)25(32)29(24(22)31)34-14-6-9-27-10-12-28(13-11-27)18-7-4-5-8-20(18)33-3/h4-5,7-8,17,21-23H,6,9-16H2,1-3H3
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637n/an/an/an/an/an/an/an/a



Institute of Pharmacology of the Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A (unknown origin) receptor


Eur J Med Chem 44: 152-64 (2008)


Article DOI: 10.1016/j.ejmech.2008.03.019
BindingDB Entry DOI: 10.7270/Q2513Z07
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50248787
PNG
(1-Methoxy-4-{3-[4-(2-methoxy-phenyl)-piperazin-1-y...)
Show SMILES COc1ccccc1N1CCN(CCCON2C(=O)C3C(C2=O)C2(CCC3C=C2)OC)CC1
Show InChI InChI=1S/C25H33N3O5/c1-31-20-7-4-3-6-19(20)27-15-13-26(14-16-27)12-5-17-33-28-23(29)21-18-8-10-25(32-2,11-9-18)22(21)24(28)30/h3-4,6-8,10,18,21-22H,5,9,11-17H2,1-2H3
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1.39E+3n/an/an/an/an/an/an/an/a



Institute of Pharmacology of the Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A (unknown origin) receptor


Eur J Med Chem 44: 152-64 (2008)


Article DOI: 10.1016/j.ejmech.2008.03.019
BindingDB Entry DOI: 10.7270/Q2513Z07
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50346375
PNG
(4-[3-[4-(naphthalen)piperazin-1-yl]propoxy]-4-aza-...)
Show SMILES O=C1C2C3CC(C=C3)C2C(=O)N1OCCCN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C26H29N3O3/c30-25-23-19-9-10-20(17-19)24(23)26(31)29(25)32-16-4-11-27-12-14-28(15-13-27)22-8-3-6-18-5-1-2-7-21(18)22/h1-3,5-10,19-20,23-24H,4,11-17H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH 23390 from dopamine D1 receptor in rat corpora striatum homogenates after 15 mins by liquid scintillation counting


Eur J Med Chem 46: 2206-16 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.001
BindingDB Entry DOI: 10.7270/Q2M32W4J
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50171893
PNG
(4-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethoxy}...)
Show SMILES COc1ccccc1N1CCN(CCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1
Show InChI InChI=1S/C22H27N3O4/c1-28-18-5-3-2-4-17(18)24-10-8-23(9-11-24)12-13-29-25-21(26)19-15-6-7-16(14-15)20(19)22(25)27/h2-7,15-16,19-20H,8-14H2,1H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of 0.4 nM [3H]-ketanserin binding to Serotonin 5-HT2A receptor from rat brain cortex


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50171893
PNG
(4-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethoxy}...)
Show SMILES COc1ccccc1N1CCN(CCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1
Show InChI InChI=1S/C22H27N3O4/c1-28-18-5-3-2-4-17(18)24-10-8-23(9-11-24)12-13-29-25-21(26)19-15-6-7-16(14-15)20(19)22(25)27/h2-7,15-16,19-20H,8-14H2,1H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]-mesulergine binding to Serotonin 5-HT2C receptor from rat brain cortex


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair