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12 similar compounds to monomer 50151946

Compile data set for download or QSAR
Wt: 420.5
BDBM50151930
Wt: 376.4
BDBM50151932
Wt: 406.5
BDBM50151937
Wt: 419.5
BDBM50151945
Wt: 434.5
BDBM50151948
Wt: 433.5
BDBM50151954
Wt: 418.5
BDBM50151958
Wt: 392.4
BDBM50151966
Wt: 475.4
BDBM50151973
Wt: 421.5
BDBM50151974
Wt: 436.5
BDBM50151976
Wt: 388.5
BDBM50151984

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 50151930,50151932,50151937,50151945,50151948,50151954,50151958,50151966,50151973,50151974,50151976,50151984   
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))
BDBM50151932
PNG
(3-[4-(4-Phenyl-piperazin-1-yl)-butyl]-1H-indole-5-...)
Show SMILES NC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccccc3)c2c1
Show InChI InChI=1S/C23H28N4O/c24-23(28)18-9-10-22-21(16-18)19(17-25-22)6-4-5-11-26-12-14-27(15-13-26)20-7-2-1-3-8-20/h1-3,7-10,16-17,25H,4-6,11-15H2,(H2,24,28)
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n/an/a 7n/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))
BDBM50151930
PNG
(3-[4-(4-Benzo[1,3]dioxol-5-yl-piperazin-1-yl)-buty...)
Show SMILES NC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCOc4c3)c2c1
Show InChI InChI=1S/C24H28N4O3/c25-24(29)17-4-6-21-20(13-17)18(15-26-21)3-1-2-8-27-9-11-28(12-10-27)19-5-7-22-23(14-19)31-16-30-22/h4-7,13-15,26H,1-3,8-12,16H2,(H2,25,29)
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n/an/a 900n/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))
BDBM50151932
PNG
(3-[4-(4-Phenyl-piperazin-1-yl)-butyl]-1H-indole-5-...)
Show SMILES NC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccccc3)c2c1
Show InChI InChI=1S/C23H28N4O/c24-23(28)18-9-10-22-21(16-18)19(17-25-22)6-4-5-11-26-12-14-27(15-13-26)20-7-2-1-3-8-20/h1-3,7-10,16-17,25H,4-6,11-15H2,(H2,24,28)
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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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50151945
PNG
(3-{4-[4-(4-Carbamoyl-phenyl)-piperazin-1-yl]-butyl...)
Show SMILES NC(=O)c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C(N)=O)CC1
Show InChI InChI=1S/C24H29N5O2/c25-23(30)17-4-7-20(8-5-17)29-13-11-28(12-14-29)10-2-1-3-19-16-27-22-9-6-18(24(26)31)15-21(19)22/h4-9,15-16,27H,1-3,10-14H2,(H2,25,30)(H2,26,31)
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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
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50151954
PNG
(3-{4-[4-(4-Acetylamino-phenyl)-piperazin-1-yl]-but...)
Show SMILES CC(=O)Nc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C(N)=O)CC1
Show InChI InChI=1S/C25H31N5O2/c1-18(31)28-21-6-8-22(9-7-21)30-14-12-29(13-15-30)11-3-2-4-20-17-27-24-10-5-19(25(26)32)16-23(20)24/h5-10,16-17,27H,2-4,11-15H2,1H3,(H2,26,32)(H,28,31)
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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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50151958
PNG
(3-{4-[4-(2,3-Dihydro-benzofuran-5-yl)-piperazin-1-...)
Show SMILES NC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCc4c3)c2c1
Show InChI InChI=1S/C25H30N4O2/c26-25(30)19-4-6-23-22(16-19)20(17-27-23)3-1-2-9-28-10-12-29(13-11-28)21-5-7-24-18(15-21)8-14-31-24/h4-7,15-17,27H,1-3,8-14H2,(H2,26,30)
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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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50151930
PNG
(3-[4-(4-Benzo[1,3]dioxol-5-yl-piperazin-1-yl)-buty...)
Show SMILES NC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCOc4c3)c2c1
Show InChI InChI=1S/C24H28N4O3/c25-24(29)17-4-6-21-20(13-17)18(15-26-21)3-1-2-8-27-9-11-28(12-10-27)19-5-7-22-23(14-19)31-16-30-22/h4-7,13-15,26H,1-3,8-12,16H2,(H2,25,29)
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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))
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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n/an/a 156n/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))
BDBM50151954
PNG
(3-{4-[4-(4-Acetylamino-phenyl)-piperazin-1-yl]-but...)
Show SMILES CC(=O)Nc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C(N)=O)CC1
Show InChI InChI=1S/C25H31N5O2/c1-18(31)28-21-6-8-22(9-7-21)30-14-12-29(13-15-30)11-3-2-4-20-17-27-24-10-5-19(25(26)32)16-23(20)24/h5-10,16-17,27H,2-4,11-15H2,1H3,(H2,26,32)(H,28,31)
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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))
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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n/an/a 40n/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))
BDBM50151945
PNG
(3-{4-[4-(4-Carbamoyl-phenyl)-piperazin-1-yl]-butyl...)
Show SMILES NC(=O)c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C(N)=O)CC1
Show InChI InChI=1S/C24H29N5O2/c25-23(30)17-4-7-20(8-5-17)29-13-11-28(12-14-29)10-2-1-3-19-16-27-22-9-6-18(24(26)31)15-21(19)22/h4-9,15-16,27H,1-3,10-14H2,(H2,25,30)(H2,26,31)
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n/an/a>850n/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))
BDBM50151973
PNG
(3-{4-[4-(3,5-Dichloro-4-methoxy-phenyl)-piperazin-...)
Show SMILES COc1c(Cl)cc(cc1Cl)N1CCN(CCCCc2c[nH]c3ccc(cc23)C(N)=O)CC1
Show InChI InChI=1S/C24H28Cl2N4O2/c1-32-23-20(25)13-18(14-21(23)26)30-10-8-29(9-11-30)7-3-2-4-17-15-28-22-6-5-16(24(27)31)12-19(17)22/h5-6,12-15,28H,2-4,7-11H2,1H3,(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
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50151974
PNG
(3-{4-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(OC)cc3)c2c1
Show InChI InChI=1S/C25H31N3O3/c1-30-22-9-7-21(8-10-22)28-15-13-27(14-16-28)12-4-3-5-20-18-26-24-11-6-19(17-23(20)24)25(29)31-2/h6-11,17-18,26H,3-5,12-16H2,1-2H3
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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))
BDBM50151976
PNG
(3-{4-[4-(2,4-Dimethoxy-phenyl)-piperazin-1-yl]-but...)
Show SMILES COc1ccc(N2CCN(CCCCc3c[nH]c4ccc(cc34)C(N)=O)CC2)c(OC)c1
Show InChI InChI=1S/C25H32N4O3/c1-31-20-7-9-23(24(16-20)32-2)29-13-11-28(12-14-29)10-4-3-5-19-17-27-22-8-6-18(25(26)30)15-21(19)22/h6-9,15-17,27H,3-5,10-14H2,1-2H3,(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))
BDBM50151974
PNG
(3-{4-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(OC)cc3)c2c1
Show InChI InChI=1S/C25H31N3O3/c1-30-22-9-7-21(8-10-22)28-15-13-27(14-16-28)12-4-3-5-20-18-26-24-11-6-19(17-23(20)24)25(29)31-2/h6-11,17-18,26H,3-5,12-16H2,1-2H3
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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))
BDBM50151930
PNG
(3-[4-(4-Benzo[1,3]dioxol-5-yl-piperazin-1-yl)-buty...)
Show SMILES NC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCOc4c3)c2c1
Show InChI InChI=1S/C24H28N4O3/c25-24(29)17-4-6-21-20(13-17)18(15-26-21)3-1-2-8-27-9-11-28(12-10-27)19-5-7-22-23(14-19)31-16-30-22/h4-7,13-15,26H,1-3,8-12,16H2,(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))
BDBM50151976
PNG
(3-{4-[4-(2,4-Dimethoxy-phenyl)-piperazin-1-yl]-but...)
Show SMILES COc1ccc(N2CCN(CCCCc3c[nH]c4ccc(cc34)C(N)=O)CC2)c(OC)c1
Show InChI InChI=1S/C25H32N4O3/c1-31-20-7-9-23(24(16-20)32-2)29-13-11-28(12-14-29)10-4-3-5-19-17-27-22-8-6-18(25(26)30)15-21(19)22/h6-9,15-17,27H,3-5,10-14H2,1-2H3,(H2,26,30)
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n/an/a 0.0700n/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))
BDBM50151973
PNG
(3-{4-[4-(3,5-Dichloro-4-methoxy-phenyl)-piperazin-...)
Show SMILES COc1c(Cl)cc(cc1Cl)N1CCN(CCCCc2c[nH]c3ccc(cc23)C(N)=O)CC1
Show InChI InChI=1S/C24H28Cl2N4O2/c1-32-23-20(25)13-18(14-21(23)26)30-10-8-29(9-11-30)7-3-2-4-17-15-28-22-6-5-16(24(27)31)12-19(17)22/h5-6,12-15,28H,2-4,7-11H2,1H3,(H2,27,31)
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n/an/a 0.700n/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))
BDBM50151937
PNG
(3-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCc2c[nH]c3ccc(cc23)C(N)=O)CC1
Show InChI InChI=1S/C24H30N4O2/c1-30-23-8-3-2-7-22(23)28-14-12-27(13-15-28)11-5-4-6-19-17-26-21-10-9-18(24(25)29)16-20(19)21/h2-3,7-10,16-17,26H,4-6,11-15H2,1H3,(H2,25,29)
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n/an/a 1.20n/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))
BDBM50151958
PNG
(3-{4-[4-(2,3-Dihydro-benzofuran-5-yl)-piperazin-1-...)
Show SMILES NC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCc4c3)c2c1
Show InChI InChI=1S/C25H30N4O2/c26-25(30)19-4-6-23-22(16-19)20(17-27-23)3-1-2-9-28-10-12-29(13-11-28)21-5-7-24-18(15-21)8-14-31-24/h4-7,15-17,27H,1-3,8-14H2,(H2,26,30)
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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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50151984
PNG
(3-{4-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C24H28N4O/c1-29-22-8-6-21(7-9-22)28-14-12-27(13-15-28)11-3-2-4-20-18-26-24-10-5-19(17-25)16-23(20)24/h5-10,16,18,26H,2-4,11-15H2,1H3
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n/an/a 0.5n/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))
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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n/an/a 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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50151984
PNG
(3-{4-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C24H28N4O/c1-29-22-8-6-21(7-9-22)28-14-12-27(13-15-28)11-3-2-4-20-18-26-24-10-5-19(17-25)16-23(20)24/h5-10,16,18,26H,2-4,11-15H2,1H3
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n/an/a 46n/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))
BDBM50151984
PNG
(3-{4-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C24H28N4O/c1-29-22-8-6-21(7-9-22)28-14-12-27(13-15-28)11-3-2-4-20-18-26-24-10-5-19(17-25)16-23(20)24/h5-10,16,18,26H,2-4,11-15H2,1H3
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n/an/a 1n/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))
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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n/an/a 40n/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))
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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n/an/a 0.200n/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))
BDBM50151930
PNG
(3-[4-(4-Benzo[1,3]dioxol-5-yl-piperazin-1-yl)-buty...)
Show SMILES NC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCOc4c3)c2c1
Show InChI InChI=1S/C24H28N4O3/c25-24(29)17-4-6-21-20(13-17)18(15-26-21)3-1-2-8-27-9-11-28(12-10-27)19-5-7-22-23(14-19)31-16-30-22/h4-7,13-15,26H,1-3,8-12,16H2,(H2,25,29)
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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: 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))
BDBM50151937
PNG
(3-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCc2c[nH]c3ccc(cc23)C(N)=O)CC1
Show InChI InChI=1S/C24H30N4O2/c1-30-23-8-3-2-7-22(23)28-14-12-27(13-15-28)11-5-4-6-19-17-26-21-10-9-18(24(25)29)16-20(19)21/h2-3,7-10,16-17,26H,4-6,11-15H2,1H3,(H2,25,29)
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n/an/a 0.100n/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