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5 similar compounds to monomer 50151982

Compile data set for download or QSAR
Wt: 441.5
BDBM50152000
Wt: 441.5
BDBM50152008
Wt: 423.5
BDBM50152011
Wt: 434.5
BDBM50152012
Wt: 441.5
BDBM50152026

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50152000,50152008,50152011,50152012,50152026   
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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50152000
PNG
(4-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES NC(=O)c1cc2c(cccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C26H27N5O2/c27-16-18-7-8-22-20(14-18)19(17-29-22)4-1-2-9-30-10-12-31(13-11-30)23-5-3-6-24-21(23)15-25(33-24)26(28)32/h3,5-8,14-15,17,29H,1-2,4,9-13H2,(H2,28,32)
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n/an/a 6.60n/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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50152000
PNG
(4-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES NC(=O)c1cc2c(cccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C26H27N5O2/c27-16-18-7-8-22-20(14-18)19(17-29-22)4-1-2-9-30-10-12-31(13-11-30)23-5-3-6-24-21(23)15-25(33-24)26(28)32/h3,5-8,14-15,17,29H,1-2,4,9-13H2,(H2,28,32)
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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))
BDBM50152008
PNG
(6-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES NC(=O)c1cc2ccc(cc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C26H27N5O2/c27-16-18-4-7-23-22(13-18)20(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-6-5-19-14-25(26(28)32)33-24(19)15-21/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)
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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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50152011
PNG
(3-{4-[4-(2-Cyano-benzofuran-5-yl)-piperazin-1-yl]-...)
Show SMILES N#Cc1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C26H25N5O/c27-16-19-4-6-25-24(13-19)20(18-29-25)3-1-2-8-30-9-11-31(12-10-30)22-5-7-26-21(14-22)15-23(17-28)32-26/h4-7,13-15,18,29H,1-3,8-12H2
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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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50152012
PNG
(5-{4-[4-(5-Fluoro-1H-indol-3-yl)-butyl]-piperazin-...)
Show SMILES NC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(F)cc23)CC1
Show InChI InChI=1S/C25H27FN4O2/c26-19-4-6-22-21(15-19)17(16-28-22)3-1-2-8-29-9-11-30(12-10-29)20-5-7-23-18(13-20)14-24(32-23)25(27)31/h4-7,13-16,28H,1-3,8-12H2,(H2,27,31)
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n/an/a 0.300n/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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50152012
PNG
(5-{4-[4-(5-Fluoro-1H-indol-3-yl)-butyl]-piperazin-...)
Show SMILES NC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(F)cc23)CC1
Show InChI InChI=1S/C25H27FN4O2/c26-19-4-6-22-21(15-19)17(16-28-22)3-1-2-8-29-9-11-30(12-10-29)20-5-7-23-18(13-20)14-24(32-23)25(27)31/h4-7,13-16,28H,1-3,8-12H2,(H2,27,31)
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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: 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))
BDBM50152008
PNG
(6-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES NC(=O)c1cc2ccc(cc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C26H27N5O2/c27-16-18-4-7-23-22(13-18)20(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-6-5-19-14-25(26(28)32)33-24(19)15-21/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)
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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))
BDBM50152012
PNG
(5-{4-[4-(5-Fluoro-1H-indol-3-yl)-butyl]-piperazin-...)
Show SMILES NC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(F)cc23)CC1
Show InChI InChI=1S/C25H27FN4O2/c26-19-4-6-22-21(15-19)17(16-28-22)3-1-2-8-29-9-11-30(12-10-29)20-5-7-23-18(13-20)14-24(32-23)25(27)31/h4-7,13-16,28H,1-3,8-12H2,(H2,27,31)
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n/an/a 3n/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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50152026
PNG
(7-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES NC(=O)c1cc2cccc(N3CCN(CCCCc4c[nH]c5ccc(cc45)C#N)CC3)c2o1
Show InChI InChI=1S/C26H27N5O2/c27-16-18-7-8-22-21(14-18)20(17-29-22)4-1-2-9-30-10-12-31(13-11-30)23-6-3-5-19-15-24(26(28)32)33-25(19)23/h3,5-8,14-15,17,29H,1-2,4,9-13H2,(H2,28,32)
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n/an/a 1.90n/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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50152026
PNG
(7-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES NC(=O)c1cc2cccc(N3CCN(CCCCc4c[nH]c5ccc(cc45)C#N)CC3)c2o1
Show InChI InChI=1S/C26H27N5O2/c27-16-18-7-8-22-21(14-18)20(17-29-22)4-1-2-9-30-10-12-31(13-11-30)23-6-3-5-19-15-24(26(28)32)33-25(19)23/h3,5-8,14-15,17,29H,1-2,4,9-13H2,(H2,28,32)
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n/an/a 39n/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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50152008
PNG
(6-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES NC(=O)c1cc2ccc(cc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C26H27N5O2/c27-16-18-4-7-23-22(13-18)20(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-6-5-19-14-25(26(28)32)33-24(19)15-21/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)
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n/an/a 4.40n/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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50152011
PNG
(3-{4-[4-(2-Cyano-benzofuran-5-yl)-piperazin-1-yl]-...)
Show SMILES N#Cc1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C26H25N5O/c27-16-19-4-6-25-24(13-19)20(18-29-25)3-1-2-8-30-9-11-31(12-10-30)22-5-7-26-21(14-22)15-23(17-28)32-26/h4-7,13-15,18,29H,1-3,8-12H2
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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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50152026
PNG
(7-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES NC(=O)c1cc2cccc(N3CCN(CCCCc4c[nH]c5ccc(cc45)C#N)CC3)c2o1
Show InChI InChI=1S/C26H27N5O2/c27-16-18-7-8-22-21(14-18)20(17-29-22)4-1-2-9-30-10-12-31(13-11-30)23-6-3-5-19-15-24(26(28)32)33-25(19)23/h3,5-8,14-15,17,29H,1-2,4,9-13H2,(H2,28,32)
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n/an/a 2.60n/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))
BDBM50152011
PNG
(3-{4-[4-(2-Cyano-benzofuran-5-yl)-piperazin-1-yl]-...)
Show SMILES N#Cc1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C26H25N5O/c27-16-19-4-6-25-24(13-19)20(18-29-25)3-1-2-8-30-9-11-31(12-10-30)22-5-7-26-21(14-22)15-23(17-28)32-26/h4-7,13-15,18,29H,1-3,8-12H2
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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 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))
BDBM50152000
PNG
(4-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES NC(=O)c1cc2c(cccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C26H27N5O2/c27-16-18-7-8-22-20(14-18)19(17-29-22)4-1-2-9-30-10-12-31(13-11-30)23-5-3-6-24-21(23)15-25(33-24)26(28)32/h3,5-8,14-15,17,29H,1-2,4,9-13H2,(H2,28,32)
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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