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7 similar compounds to monomer 50151930

Compile data set for download or QSAR
Wt: 406.5
BDBM50151946
Wt: 434.5
BDBM50151948
Wt: 407.5
BDBM50151961
Wt: 392.4
BDBM50151966
Wt: 395.4
BDBM50152002
Wt: 419.5
BDBM50152007
Wt: 402.4
BDBM50152022

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50151946,50151948,50151961,50151966,50152002,50152007,50152022   
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))
BDBM50151948
PNG
(3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pipera...)
Show SMILES NC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
Show InChI InChI=1S/C25H30N4O3/c26-25(30)18-4-6-22-21(15-18)19(17-27-22)3-1-2-8-28-9-11-29(12-10-28)20-5-7-23-24(16-20)32-14-13-31-23/h4-7,15-17,27H,1-3,8-14H2,(H2,26,30)
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Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT bindign to rat hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50152007
PNG
(3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pipera...)
Show SMILES O=Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
Show InChI InChI=1S/C25H29N3O3/c29-18-19-4-6-23-22(15-19)20(17-26-23)3-1-2-8-27-9-11-28(12-10-27)21-5-7-24-25(16-21)31-14-13-30-24/h4-7,15-18,26H,1-3,8-14H2
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Merck KGaA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Factor Xa


J Med Chem 47: 4684-92 (2004)


Article DOI: 10.1021/jm040793q
BindingDB Entry DOI: 10.7270/Q2513XPS
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50151961
PNG
(3-[4-(4-Benzo[1,3]dioxol-5-yl-piperazin-1-yl)-buty...)
Show SMILES COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCOc4c3)c2c1
Show InChI InChI=1S/C24H29N3O3/c1-28-20-6-7-22-21(15-20)18(16-25-22)4-2-3-9-26-10-12-27(13-11-26)19-5-8-23-24(14-19)30-17-29-23/h5-8,14-16,25H,2-4,9-13,17H2,1H3
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Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT bindign to rat hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50151966
PNG
(3-{4-[4-(4-Hydroxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES NC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(O)cc3)c2c1
Show InChI InChI=1S/C23H28N4O2/c24-23(29)17-4-9-22-21(15-17)18(16-25-22)3-1-2-10-26-11-13-27(14-12-26)19-5-7-20(28)8-6-19/h4-9,15-16,25,28H,1-3,10-14H2,(H2,24,29)
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Merck KGaA

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from dopamine D2 receptor of rat striatal membranes


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50151948
PNG
(3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pipera...)
Show SMILES NC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
Show InChI InChI=1S/C25H30N4O3/c26-25(30)18-4-6-22-21(15-18)19(17-27-22)3-1-2-8-28-9-11-29(12-10-28)20-5-7-23-24(16-20)32-14-13-31-23/h4-7,15-17,27H,1-3,8-14H2,(H2,26,30)
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Merck KGaA

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from dopamine D2 receptor of rat striatal membranes


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50151946
PNG
(3-{4-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C(N)=O)CC1
Show InChI InChI=1S/C24H30N4O2/c1-30-21-8-6-20(7-9-21)28-14-12-27(13-15-28)11-3-2-4-19-17-26-23-10-5-18(24(25)29)16-22(19)23/h5-10,16-17,26H,2-4,11-15H2,1H3,(H2,25,29)
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Merck KGaA

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from dopamine D2 receptor of rat striatal membranes


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50151966
PNG
(3-{4-[4-(4-Hydroxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES NC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(O)cc3)c2c1
Show InChI InChI=1S/C23H28N4O2/c24-23(29)17-4-9-22-21(15-17)18(16-25-22)3-1-2-10-26-11-13-27(14-12-26)19-5-7-20(28)8-6-19/h4-9,15-16,25,28H,1-3,10-14H2,(H2,24,29)
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Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT bindign to rat hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50151961
PNG
(3-[4-(4-Benzo[1,3]dioxol-5-yl-piperazin-1-yl)-buty...)
Show SMILES COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCOc4c3)c2c1
Show InChI InChI=1S/C24H29N3O3/c1-28-20-6-7-22-21(15-20)18(16-25-22)4-2-3-9-26-10-12-27(13-11-26)19-5-8-23-24(14-19)30-17-29-23/h5-8,14-16,25H,2-4,9-13,17H2,1H3
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Merck KGaA

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from dopamine D2 receptor of rat striatal membranes


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50151948
PNG
(3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pipera...)
Show SMILES NC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
Show InChI InChI=1S/C25H30N4O3/c26-25(30)18-4-6-22-21(15-18)19(17-27-22)3-1-2-8-28-9-11-29(12-10-28)20-5-7-23-24(16-20)32-14-13-31-23/h4-7,15-17,27H,1-3,8-14H2,(H2,26,30)
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Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-HT re-uptake in rat synaptosomes


J Med Chem 47: 4684-92 (2004)


Article DOI: 10.1021/jm040793q
BindingDB Entry DOI: 10.7270/Q2513XPS
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50152007
PNG
(3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pipera...)
Show SMILES O=Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
Show InChI InChI=1S/C25H29N3O3/c29-18-19-4-6-23-22(15-19)20(17-26-23)3-1-2-8-27-9-11-28(12-10-27)21-5-7-24-25(16-21)31-14-13-30-24/h4-7,15-18,26H,1-3,8-14H2
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Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT binding to rat hydroxytryptamine 1A receptor expresssed in CHO cells


J Med Chem 47: 4684-92 (2004)


Article DOI: 10.1021/jm040793q
BindingDB Entry DOI: 10.7270/Q2513XPS
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50152022
PNG
(3-[4-(4-Benzo[1,3]dioxol-5-yl-piperazin-1-yl)-buty...)
Show SMILES N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCOc4c3)c2c1
Show InChI InChI=1S/C24H26N4O2/c25-15-18-4-6-22-21(13-18)19(16-26-22)3-1-2-8-27-9-11-28(12-10-27)20-5-7-23-24(14-20)30-17-29-23/h4-7,13-14,16,26H,1-3,8-12,17H2
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Merck KGaA

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from dopamine D2 receptor of rat striatal membranes


J Med Chem 47: 4684-92 (2004)


Article DOI: 10.1021/jm040793q
BindingDB Entry DOI: 10.7270/Q2513XPS
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50152002
PNG
(3-[4-(4-Benzo[1,3]dioxol-5-yl-piperazin-1-yl)-buty...)
Show SMILES Fc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCOc4c3)c2c1
Show InChI InChI=1S/C23H26FN3O2/c24-18-4-6-21-20(13-18)17(15-25-21)3-1-2-8-26-9-11-27(12-10-26)19-5-7-22-23(14-19)29-16-28-22/h4-7,13-15,25H,1-3,8-12,16H2
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Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT binding to rat hydroxytryptamine 1A receptor expresssed in CHO cells


J Med Chem 47: 4684-92 (2004)


Article DOI: 10.1021/jm040793q
BindingDB Entry DOI: 10.7270/Q2513XPS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50152007
PNG
(3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pipera...)
Show SMILES O=Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
Show InChI InChI=1S/C25H29N3O3/c29-18-19-4-6-23-22(15-19)20(17-26-23)3-1-2-8-27-9-11-28(12-10-27)21-5-7-24-25(16-21)31-14-13-30-24/h4-7,15-18,26H,1-3,8-14H2
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Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-HT re-uptake in rat synaptosomes


J Med Chem 47: 4684-92 (2004)


Article DOI: 10.1021/jm040793q
BindingDB Entry DOI: 10.7270/Q2513XPS
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50151948
PNG
(3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pipera...)
Show SMILES NC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
Show InChI InChI=1S/C25H30N4O3/c26-25(30)18-4-6-22-21(15-18)19(17-27-22)3-1-2-8-28-9-11-29(12-10-28)20-5-7-23-24(16-20)32-14-13-31-23/h4-7,15-17,27H,1-3,8-14H2,(H2,26,30)
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Merck KGaA

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from dopamine D2 receptor of rat striatal membranes


J Med Chem 47: 4684-92 (2004)


Article DOI: 10.1021/jm040793q
BindingDB Entry DOI: 10.7270/Q2513XPS
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50152022
PNG
(3-[4-(4-Benzo[1,3]dioxol-5-yl-piperazin-1-yl)-buty...)
Show SMILES N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCOc4c3)c2c1
Show InChI InChI=1S/C24H26N4O2/c25-15-18-4-6-22-21(13-18)19(16-26-22)3-1-2-8-27-9-11-28(12-10-27)20-5-7-23-24(14-20)30-17-29-23/h4-7,13-14,16,26H,1-3,8-12,17H2
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Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT binding to rat hydroxytryptamine 1A receptor expresssed in CHO cells


J Med Chem 47: 4684-92 (2004)


Article DOI: 10.1021/jm040793q
BindingDB Entry DOI: 10.7270/Q2513XPS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50152022
PNG
(3-[4-(4-Benzo[1,3]dioxol-5-yl-piperazin-1-yl)-buty...)
Show SMILES N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCOc4c3)c2c1
Show InChI InChI=1S/C24H26N4O2/c25-15-18-4-6-22-21(13-18)19(16-26-22)3-1-2-8-27-9-11-28(12-10-27)20-5-7-23-24(14-20)30-17-29-23/h4-7,13-14,16,26H,1-3,8-12,17H2
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Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-HT re-uptake in rat synaptosomes


J Med Chem 47: 4684-92 (2004)


Article DOI: 10.1021/jm040793q
BindingDB Entry DOI: 10.7270/Q2513XPS
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50151948
PNG
(3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pipera...)
Show SMILES NC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
Show InChI InChI=1S/C25H30N4O3/c26-25(30)18-4-6-22-21(15-18)19(17-27-22)3-1-2-8-28-9-11-29(12-10-28)20-5-7-23-24(16-20)32-14-13-31-23/h4-7,15-17,27H,1-3,8-14H2,(H2,26,30)
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Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT binding to rat hydroxytryptamine 1A receptor expresssed in CHO cells


J Med Chem 47: 4684-92 (2004)


Article DOI: 10.1021/jm040793q
BindingDB Entry DOI: 10.7270/Q2513XPS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50152002
PNG
(3-[4-(4-Benzo[1,3]dioxol-5-yl-piperazin-1-yl)-buty...)
Show SMILES Fc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCOc4c3)c2c1
Show InChI InChI=1S/C23H26FN3O2/c24-18-4-6-21-20(13-18)17(15-25-21)3-1-2-8-26-9-11-27(12-10-26)19-5-7-22-23(14-19)29-16-28-22/h4-7,13-15,25H,1-3,8-12,16H2
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Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-HT re-uptake in rat synaptosomes


J Med Chem 47: 4684-92 (2004)


Article DOI: 10.1021/jm040793q
BindingDB Entry DOI: 10.7270/Q2513XPS
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50151946
PNG
(3-{4-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C(N)=O)CC1
Show InChI InChI=1S/C24H30N4O2/c1-30-21-8-6-20(7-9-21)28-14-12-27(13-15-28)11-3-2-4-19-17-26-23-10-5-18(24(25)29)16-22(19)23/h5-10,16-17,26H,2-4,11-15H2,1H3,(H2,25,29)
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Merck KGaA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Factor Xa


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50151946
PNG
(3-{4-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C(N)=O)CC1
Show InChI InChI=1S/C24H30N4O2/c1-30-21-8-6-20(7-9-21)28-14-12-27(13-15-28)11-3-2-4-19-17-26-23-10-5-18(24(25)29)16-22(19)23/h5-10,16-17,26H,2-4,11-15H2,1H3,(H2,25,29)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Factor Xa


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50152002
PNG
(3-[4-(4-Benzo[1,3]dioxol-5-yl-piperazin-1-yl)-buty...)
Show SMILES Fc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCOc4c3)c2c1
Show InChI InChI=1S/C23H26FN3O2/c24-18-4-6-21-20(13-18)17(15-25-21)3-1-2-8-26-9-11-27(12-10-26)19-5-7-22-23(14-19)29-16-28-22/h4-7,13-15,25H,1-3,8-12,16H2
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n/an/a<100n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Factor Xa


J Med Chem 47: 4684-92 (2004)


Article DOI: 10.1021/jm040793q
BindingDB Entry DOI: 10.7270/Q2513XPS
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50151946
PNG
(3-{4-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C(N)=O)CC1
Show InChI InChI=1S/C24H30N4O2/c1-30-21-8-6-20(7-9-21)28-14-12-27(13-15-28)11-3-2-4-19-17-26-23-10-5-18(24(25)29)16-22(19)23/h5-10,16-17,26H,2-4,11-15H2,1H3,(H2,25,29)
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n/an/a 0.0900n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT bindign to rat hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair