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4 similar compounds to monomer 50151958

Compile data set for download or QSAR
Wt: 406.5
BDBM50151946
Wt: 405.5
BDBM50151962
Wt: 432.5
BDBM50151971
Wt: 400.5
BDBM50152017

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50151946,50151962,50151971,50152017   
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))
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50151962
PNG
(3-{4-[4-(2,3-Dihydro-benzofuran-5-yl)-piperazin-1-...)
Show SMILES COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCc4c3)c2c1
Show InChI InChI=1S/C25H31N3O2/c1-29-22-6-7-24-23(17-22)20(18-26-24)4-2-3-10-27-11-13-28(14-12-27)21-5-8-25-19(16-21)9-15-30-25/h5-8,16-18,26H,2-4,9-15H2,1H3
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n/an/a 0.400n/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
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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n/an/a 140n/an/an/an/an/an/a



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))
BDBM50151971
PNG
(3-[4-(4-Chroman-6-yl-piperazin-1-yl)-butyl]-1H-ind...)
Show SMILES NC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCCc4c3)c2c1
Show InChI InChI=1S/C26H32N4O2/c27-26(31)20-6-8-24-23(17-20)21(18-28-24)4-1-2-10-29-11-13-30(14-12-29)22-7-9-25-19(16-22)5-3-15-32-25/h6-9,16-18,28H,1-5,10-15H2,(H2,27,31)
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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))
BDBM50151962
PNG
(3-{4-[4-(2,3-Dihydro-benzofuran-5-yl)-piperazin-1-...)
Show SMILES COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCc4c3)c2c1
Show InChI InChI=1S/C25H31N3O2/c1-29-22-6-7-24-23(17-22)20(18-26-24)4-2-3-10-27-11-13-28(14-12-27)21-5-8-25-19(16-21)9-15-30-25/h5-8,16-18,26H,2-4,9-15H2,1H3
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n/an/a>100n/an/an/an/an/an/a



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
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))
BDBM50152017
PNG
(3-{4-[4-(2,3-Dihydro-benzofuran-5-yl)-piperazin-1-...)
Show SMILES N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCc4c3)c2c1
Show InChI InChI=1S/C25H28N4O/c26-17-19-4-6-24-23(15-19)21(18-27-24)3-1-2-9-28-10-12-29(13-11-28)22-5-7-25-20(16-22)8-14-30-25/h4-7,15-16,18,27H,1-3,8-14H2
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n/an/a 13n/an/an/an/an/an/a



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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50152017
PNG
(3-{4-[4-(2,3-Dihydro-benzofuran-5-yl)-piperazin-1-...)
Show SMILES N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCc4c3)c2c1
Show InChI InChI=1S/C25H28N4O/c26-17-19-4-6-24-23(15-19)21(18-27-24)3-1-2-9-28-10-12-29(13-11-28)22-5-7-25-20(16-22)8-14-30-25/h4-7,15-16,18,27H,1-3,8-14H2
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n/an/a 1n/an/an/an/an/an/a



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))
BDBM50152017
PNG
(3-{4-[4-(2,3-Dihydro-benzofuran-5-yl)-piperazin-1-...)
Show SMILES N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCc4c3)c2c1
Show InChI InChI=1S/C25H28N4O/c26-17-19-4-6-24-23(15-19)21(18-27-24)3-1-2-9-28-10-12-29(13-11-28)22-5-7-25-20(16-22)8-14-30-25/h4-7,15-16,18,27H,1-3,8-14H2
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n/an/a 4n/an/an/an/an/an/a



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
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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n/an/a 700n/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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50151971
PNG
(3-[4-(4-Chroman-6-yl-piperazin-1-yl)-butyl]-1H-ind...)
Show SMILES NC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCCc4c3)c2c1
Show InChI InChI=1S/C26H32N4O2/c27-26(31)20-6-8-24-23(17-20)21(18-28-24)4-1-2-10-29-11-13-30(14-12-29)22-7-9-25-19(16-22)5-3-15-32-25/h6-9,16-18,28H,1-5,10-15H2,(H2,27,31)
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n/an/a 0.5n/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