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PubMed code 15341484

Compile data set for download or QSAR
Found 159 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151983
PNG
(3-{4-[4-(2-Oxo-2H-chromen-6-yl)-piperazin-1-yl]-bu...)
Show SMILES O=c1ccc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C26H26N4O2/c27-17-19-4-7-24-23(15-19)21(18-28-24)3-1-2-10-29-11-13-30(14-12-29)22-6-8-25-20(16-22)5-9-26(31)32-25/h4-9,15-16,18,28H,1-3,10-14H2
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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 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
5-hydroxytryptamine receptor 1A


(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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151994
PNG
(3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pipera...)
Show SMILES Oc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
Show InChI InChI=1S/C24H29N3O3/c28-20-5-6-22-21(16-20)18(17-25-22)3-1-2-8-26-9-11-27(12-10-26)19-4-7-23-24(15-19)30-14-13-29-23/h4-7,15-17,25,28H,1-3,8-14H2
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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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151982
PNG
(5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES NC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)
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n/an/a 0.300n/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))
BDBM50152027
PNG
(5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES NC(=O)c1cc2cc(ccc2s1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C26H27N5OS/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/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))
BDBM50151999
PNG
(3-{4-[4-(3,4-Dimethoxy-phenyl)-piperazin-1-yl]-but...)
Show SMILES COc1ccc(cc1OC)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C25H30N4O2/c1-30-24-9-7-21(16-25(24)31-2)29-13-11-28(12-14-29)10-4-3-5-20-18-27-23-8-6-19(17-26)15-22(20)23/h6-9,15-16,18,27H,3-5,10-14H2,1-2H3
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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
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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50152009
PNG
(3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pipera...)
Show SMILES O=NCc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
Show InChI InChI=1S/C25H30N4O3/c30-27-17-19-4-6-23-22(15-19)20(18-26-23)3-1-2-8-28-9-11-29(12-10-28)21-5-7-24-25(16-21)32-14-13-31-24/h4-7,15-16,18,26H,1-3,8-14,17H2
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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))
BDBM50151988
PNG
(3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pipera...)
Show SMILES N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
Show InChI InChI=1S/C25H28N4O2/c26-17-19-4-6-23-22(15-19)20(18-27-23)3-1-2-8-28-9-11-29(12-10-28)21-5-7-24-25(16-21)31-14-13-30-24/h4-7,15-16,18,27H,1-3,8-14H2
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n/an/a 0.400n/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
5-hydroxytryptamine receptor 1A


(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
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))
BDBM50151982
PNG
(5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES NC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)
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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
3D
3D Structure (crystal)
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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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))
BDBM50151993
PNG
(3-{4-[4-(4-Hydroxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES Oc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C23H26N4O/c24-16-18-4-9-23-22(15-18)19(17-25-23)3-1-2-10-26-11-13-27(14-12-26)20-5-7-21(28)8-6-20/h4-9,15,17,25,28H,1-3,10-14H2
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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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151952
PNG
(3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pipera...)
Show SMILES COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
Show InChI InChI=1S/C25H31N3O3/c1-29-21-6-7-23-22(17-21)19(18-26-23)4-2-3-9-27-10-12-28(13-11-27)20-5-8-24-25(16-20)31-15-14-30-24/h5-8,16-18,26H,2-4,9-15H2,1H3
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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))
BDBM50151994
PNG
(3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pipera...)
Show SMILES Oc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
Show InChI InChI=1S/C24H29N3O3/c28-20-5-6-22-21(16-20)18(17-25-22)3-1-2-8-26-9-11-27(12-10-26)19-4-7-23-24(15-19)30-14-13-29-23/h4-7,15-17,25,28H,1-3,8-14H2
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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))
BDBM50152014
PNG
(4-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES NC(=O)c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C24H27N5O/c25-16-18-4-9-23-22(15-18)20(17-27-23)3-1-2-10-28-11-13-29(14-12-28)21-7-5-19(6-8-21)24(26)30/h4-9,15,17,27H,1-3,10-14H2,(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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50152018
PNG
(3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pipera...)
Show SMILES COC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
Show InChI InChI=1S/C26H31N3O4/c1-31-26(30)19-5-7-23-22(16-19)20(18-27-23)4-2-3-9-28-10-12-29(13-11-28)21-6-8-24-25(17-21)33-15-14-32-24/h5-8,16-18,27H,2-4,9-15H2,1H3
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n/an/a 0.600n/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))
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
5-hydroxytryptamine receptor 1A


(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))
BDBM50151983
PNG
(3-{4-[4-(2-Oxo-2H-chromen-6-yl)-piperazin-1-yl]-bu...)
Show SMILES O=c1ccc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C26H26N4O2/c27-17-19-4-7-24-23(15-19)21(18-28-24)3-1-2-10-29-11-13-30(14-12-29)22-6-8-25-20(16-22)5-9-26(31)32-25/h4-9,15-16,18,28H,1-3,10-14H2
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n/an/a 0.700n/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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50152013
PNG
(6-{4-[4-(5-Fluoro-1H-indol-3-yl)-butyl]-piperazin-...)
Show SMILES Fc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4oc(=O)ccc4c3)c2c1
Show InChI InChI=1S/C25H26FN3O2/c26-20-5-7-23-22(16-20)19(17-27-23)3-1-2-10-28-11-13-29(14-12-28)21-6-8-24-18(15-21)4-9-25(30)31-24/h4-9,15-17,27H,1-3,10-14H2
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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
5-hydroxytryptamine receptor 1A


(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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50152024
PNG
(3-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C24H28N4O/c1-29-24-8-3-2-7-23(24)28-14-12-27(13-15-28)11-5-4-6-20-18-26-22-10-9-19(17-25)16-21(20)22/h2-3,7-10,16,18,26H,4-6,11-15H2,1H3
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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: 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))
BDBM50152010
PNG
(3-{4-[4-(3-Cyano-4-hydroxy-phenyl)-piperazin-1-yl]...)
Show SMILES Oc1ccc(cc1C#N)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C24H25N5O/c25-15-18-4-6-23-22(13-18)19(17-27-23)3-1-2-8-28-9-11-29(12-10-28)21-5-7-24(30)20(14-21)16-26/h4-7,13-14,17,27,30H,1-3,8-12H2
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n/an/a 0.800n/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))
BDBM50152013
PNG
(6-{4-[4-(5-Fluoro-1H-indol-3-yl)-butyl]-piperazin-...)
Show SMILES Fc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4oc(=O)ccc4c3)c2c1
Show InChI InChI=1S/C25H26FN3O2/c26-20-5-7-23-22(16-20)19(17-27-23)3-1-2-10-28-11-13-29(14-12-28)21-6-8-24-18(15-21)4-9-25(30)31-24/h4-9,15-17,27H,1-3,10-14H2
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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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50152003
PNG
(3-[4-(4-Chroman-6-yl-piperazin-1-yl)-butyl]-1H-ind...)
Show SMILES N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCCc4c3)c2c1
Show InChI InChI=1S/C26H30N4O/c27-18-20-6-8-25-24(16-20)22(19-28-25)4-1-2-10-29-11-13-30(14-12-29)23-7-9-26-21(17-23)5-3-15-31-26/h6-9,16-17,19,28H,1-5,10-15H2
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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))
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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50151992
PNG
(3-{4-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-butyl}-1...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C23H25FN4/c24-20-5-7-21(8-6-20)28-13-11-27(12-14-28)10-2-1-3-19-17-26-23-9-4-18(16-25)15-22(19)23/h4-9,15,17,26H,1-3,10-14H2
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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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151988
PNG
(3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pipera...)
Show SMILES N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
Show InChI InChI=1S/C25H28N4O2/c26-17-19-4-6-23-22(15-19)20(18-27-23)3-1-2-8-28-9-11-29(12-10-28)21-5-7-24-25(16-21)31-14-13-30-24/h4-7,15-16,18,27H,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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50152015
PNG
(3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pipera...)
Show SMILES Fc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
Show InChI InChI=1S/C24H28FN3O2/c25-19-4-6-22-21(15-19)18(17-26-22)3-1-2-8-27-9-11-28(12-10-27)20-5-7-23-24(16-20)30-14-13-29-23/h4-7,15-17,26H,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
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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151989
PNG
(3-[4-(4-Benzo[1,2,5]thiadiazol-4-yl-piperazin-1-yl...)
Show SMILES N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3cccc4nsnc34)c2c1
Show InChI InChI=1S/C23H24N6S/c24-15-17-7-8-20-19(14-17)18(16-25-20)4-1-2-9-28-10-12-29(13-11-28)22-6-3-5-21-23(22)27-30-26-21/h3,5-8,14,16,25H,1-2,4,9-13H2
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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))
BDBM50152020
PNG
(3-[4-(4-Phenyl-piperazin-1-yl)-butyl]-1H-indole-5-...)
Show SMILES N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccccc3)c2c1
Show InChI InChI=1S/C23H26N4/c24-17-19-9-10-23-22(16-19)20(18-25-23)6-4-5-11-26-12-14-27(15-13-26)21-7-2-1-3-8-21/h1-3,7-10,16,18,25H,4-6,11-15H2
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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
5-hydroxytryptamine receptor 1A


(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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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))
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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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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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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50152024
PNG
(3-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C24H28N4O/c1-29-24-8-3-2-7-23(24)28-14-12-27(13-15-28)11-5-4-6-20-18-26-22-10-9-19(17-25)16-21(20)22/h2-3,7-10,16,18,26H,4-6,11-15H2,1H3
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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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151979
PNG
(3-{4-[4-(4-Cyano-phenyl)-piperazin-1-yl]-butyl}-1H...)
Show SMILES N#Cc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C24H25N5/c25-16-19-4-7-22(8-5-19)29-13-11-28(12-14-29)10-2-1-3-21-18-27-24-9-6-20(17-26)15-23(21)24/h4-9,15,18,27H,1-3,10-14H2
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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
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))
BDBM50151979
PNG
(3-{4-[4-(4-Cyano-phenyl)-piperazin-1-yl]-butyl}-1H...)
Show SMILES N#Cc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C24H25N5/c25-16-19-4-7-22(8-5-19)29-13-11-28(12-14-29)10-2-1-3-21-18-27-24-9-6-20(17-26)15-23(21)24/h4-9,15,18,27H,1-3,10-14H2
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n/an/a 1.30n/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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50151989
PNG
(3-[4-(4-Benzo[1,2,5]thiadiazol-4-yl-piperazin-1-yl...)
Show SMILES N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3cccc4nsnc34)c2c1
Show InChI InChI=1S/C23H24N6S/c24-15-17-7-8-20-19(14-17)18(16-25-20)4-1-2-9-28-10-12-29(13-11-28)22-6-3-5-21-23(22)27-30-26-21/h3,5-8,14,16,25H,1-2,4,9-13H2
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n/an/a 1.40n/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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50152006
PNG
(3-{4-[4-(2-Cyano-3-methoxy-phenyl)-piperazin-1-yl]...)
Show SMILES COc1cccc(N2CCN(CCCCc3c[nH]c4ccc(cc34)C#N)CC2)c1C#N
Show InChI InChI=1S/C25H27N5O/c1-31-25-7-4-6-24(22(25)17-27)30-13-11-29(12-14-30)10-3-2-5-20-18-28-23-9-8-19(16-26)15-21(20)23/h4,6-9,15,18,28H,2-3,5,10-14H2,1H3
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n/an/a 1.40n/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
5-hydroxytryptamine receptor 1A


(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))
BDBM50151989
PNG
(3-[4-(4-Benzo[1,2,5]thiadiazol-4-yl-piperazin-1-yl...)
Show SMILES N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3cccc4nsnc34)c2c1
Show InChI InChI=1S/C23H24N6S/c24-15-17-7-8-20-19(14-17)18(16-25-20)4-1-2-9-28-10-12-29(13-11-28)22-6-3-5-21-23(22)27-30-26-21/h3,5-8,14,16,25H,1-2,4,9-13H2
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n/an/a 1.5n/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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151981
PNG
(3-{4-[4-(1H-Indol-5-yl)-piperazin-1-yl]-butyl}-1H-...)
Show SMILES N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4[nH]ccc4c3)c2c1
Show InChI InChI=1S/C25H27N5/c26-17-19-4-6-25-23(15-19)21(18-28-25)3-1-2-10-29-11-13-30(14-12-29)22-5-7-24-20(16-22)8-9-27-24/h4-9,15-16,18,27-28H,1-3,10-14H2
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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
5-hydroxytryptamine receptor 1A


(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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50152019
PNG
(4-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(C#N)c(c3)C#N)c2c1
Show InChI InChI=1S/C25H24N6/c26-15-19-4-7-25-24(13-19)21(18-29-25)3-1-2-8-30-9-11-31(12-10-30)23-6-5-20(16-27)22(14-23)17-28/h4-7,13-14,18,29H,1-3,8-12H2
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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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151990
PNG
(3-[4-(4-{2-Cyano-3-[2-(2-ethoxy-ethoxy)-ethoxy]-ph...)
Show SMILES CCOCCOCCOc1cccc(N2CCN(CCCCc3c[nH]c4ccc(cc34)C#N)CC2)c1C#N
Show InChI InChI=1S/C30H37N5O3/c1-2-36-16-17-37-18-19-38-30-8-5-7-29(27(30)22-32)35-14-12-34(13-15-35)11-4-3-6-25-23-33-28-10-9-24(21-31)20-26(25)28/h5,7-10,20,23,33H,2-4,6,11-19H2,1H3
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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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151992
PNG
(3-{4-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-butyl}-1...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C23H25FN4/c24-20-5-7-21(8-6-20)28-13-11-27(12-14-28)10-2-1-3-19-17-26-23-9-4-18(16-25)15-22(19)23/h4-9,15,17,26H,1-3,10-14H2
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n/an/a 2n/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))
BDBM50152023
PNG
(5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES NC(=O)c1cc2cc(ccc2[nH]1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C26H28N6O/c27-16-18-4-6-24-22(13-18)19(17-29-24)3-1-2-8-31-9-11-32(12-10-31)21-5-7-23-20(14-21)15-25(30-23)26(28)33/h4-7,13-15,17,29-30H,1-3,8-12H2,(H2,28,33)
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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))
BDBM50152016
PNG
(2-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3c(cccc3C#N)C#N)c2c1
Show InChI InChI=1S/C25H24N6/c26-15-19-7-8-24-23(14-19)22(18-29-24)4-1-2-9-30-10-12-31(13-11-30)25-20(16-27)5-3-6-21(25)17-28/h3,5-8,14,18,29H,1-2,4,9-13H2
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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))
BDBM50152001
PNG
(4-{4-[4-(5-Fluoro-1H-indol-3-yl)-butyl]-piperazin-...)
Show SMILES Fc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(cc3)C#N)c2c1
Show InChI InChI=1S/C23H25FN4/c24-20-6-9-23-22(15-20)19(17-26-23)3-1-2-10-27-11-13-28(14-12-27)21-7-4-18(16-25)5-8-21/h4-9,15,17,26H,1-3,10-14H2
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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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151980
PNG
(3-[4-(4-Benzo[1,2,5]thiadiazol-5-yl-piperazin-1-yl...)
Show SMILES N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4nsnc4c3)c2c1
Show InChI InChI=1S/C23H24N6S/c24-15-17-4-6-21-20(13-17)18(16-25-21)3-1-2-8-28-9-11-29(12-10-28)19-5-7-22-23(14-19)27-30-26-22/h4-7,13-14,16,25H,1-3,8-12H2
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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))
BDBM50151981
PNG
(3-{4-[4-(1H-Indol-5-yl)-piperazin-1-yl]-butyl}-1H-...)
Show SMILES N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4[nH]ccc4c3)c2c1
Show InChI InChI=1S/C25H27N5/c26-17-19-4-6-25-23(15-19)21(18-28-25)3-1-2-10-29-11-13-30(14-12-29)22-5-7-24-20(16-22)8-9-27-24/h4-9,15-16,18,27-28H,1-3,10-14H2
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n/an/a 2.40n/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))
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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50152024
PNG
(3-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C24H28N4O/c1-29-24-8-3-2-7-23(24)28-14-12-27(13-15-28)11-5-4-6-20-18-26-22-10-9-19(17-25)16-21(20)22/h2-3,7-10,16,18,26H,4-6,11-15H2,1H3
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n/an/a 3n/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))
BDBM50151986
PNG
(5-{4-[4-(5-Fluoro-1H-indol-3-yl)-butyl]-piperazin-...)
Show SMILES Fc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4oc(cc4c3)C#N)c2c1
Show InChI InChI=1S/C25H25FN4O/c26-20-4-6-24-23(15-20)18(17-28-24)3-1-2-8-29-9-11-30(12-10-29)21-5-7-25-19(13-21)14-22(16-27)31-25/h4-7,13-15,17,28H,1-3,8-12H2
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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
5-hydroxytryptamine receptor 1A


(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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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))
BDBM50151980
PNG
(3-[4-(4-Benzo[1,2,5]thiadiazol-5-yl-piperazin-1-yl...)
Show SMILES N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4nsnc4c3)c2c1
Show InChI InChI=1S/C23H24N6S/c24-15-17-4-6-21-20(13-17)18(16-25-21)3-1-2-8-28-9-11-29(12-10-28)19-5-7-22-23(14-19)27-30-26-22/h4-7,13-14,16,25H,1-3,8-12H2
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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))
BDBM50151996
PNG
(5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES NC(=O)C1Cc2cc(ccc2O1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C26H29N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-14,17,25,29H,1-3,8-12,15H2,(H2,28,32)
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n/an/a 3.10n/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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50152027
PNG
(5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES NC(=O)c1cc2cc(ccc2s1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C26H27N5OS/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/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 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))
BDBM50151990
PNG
(3-[4-(4-{2-Cyano-3-[2-(2-ethoxy-ethoxy)-ethoxy]-ph...)
Show SMILES CCOCCOCCOc1cccc(N2CCN(CCCCc3c[nH]c4ccc(cc34)C#N)CC2)c1C#N
Show InChI InChI=1S/C30H37N5O3/c1-2-36-16-17-37-18-19-38-30-8-5-7-29(27(30)22-32)35-14-12-34(13-15-35)11-4-3-6-25-23-33-28-10-9-24(21-31)20-26(25)28/h5,7-10,20,23,33H,2-4,6,11-19H2,1H3
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n/an/a 3.20n/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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151996
PNG
(5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES NC(=O)C1Cc2cc(ccc2O1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C26H29N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-14,17,25,29H,1-3,8-12,15H2,(H2,28,32)
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n/an/a 3.20n/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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50152021
PNG
(5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES NC(=O)c1c(ccc2occc12)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C26H27N5O2/c27-16-18-4-5-22-21(15-18)19(17-29-22)3-1-2-9-30-10-12-31(13-11-30)23-6-7-24-20(8-14-33-24)25(23)26(28)32/h4-8,14-15,17,29H,1-3,9-13H2,(H2,28,32)
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n/an/a 3.30n/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))
BDBM50151985
PNG
(3-{4-[4-(4-Cyano-3-methoxy-phenyl)-piperazin-1-yl]...)
Show SMILES COc1cc(ccc1C#N)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C25H27N5O/c1-31-25-15-22(7-6-20(25)17-27)30-12-10-29(11-13-30)9-3-2-4-21-18-28-24-8-5-19(16-26)14-23(21)24/h5-8,14-15,18,28H,2-4,9-13H2,1H3
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n/an/a 3.40n/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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50152020
PNG
(3-[4-(4-Phenyl-piperazin-1-yl)-butyl]-1H-indole-5-...)
Show SMILES N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccccc3)c2c1
Show InChI InChI=1S/C23H26N4/c24-17-19-9-10-23-22(16-19)20(18-25-23)6-4-5-11-26-12-14-27(15-13-26)21-7-2-1-3-8-21/h1-3,7-10,16,18,25H,4-6,11-15H2
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n/an/a 3.80n/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))
BDBM50152006
PNG
(3-{4-[4-(2-Cyano-3-methoxy-phenyl)-piperazin-1-yl]...)
Show SMILES COc1cccc(N2CCN(CCCCc3c[nH]c4ccc(cc34)C#N)CC2)c1C#N
Show InChI InChI=1S/C25H27N5O/c1-31-25-7-4-6-24(22(25)17-27)30-13-11-29(12-14-30)10-3-2-5-20-18-28-23-9-8-19(16-26)15-21(20)23/h4,6-9,15,18,28H,2-3,5,10-14H2,1H3
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n/an/a 3.90n/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))
BDBM50151998
PNG
(3-[4-(4-Benzofuran-5-yl-piperazin-1-yl)-butyl]-1H-...)
Show SMILES N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4occc4c3)c2c1
Show InChI InChI=1S/C25H26N4O/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/h4-8,14-16,18,27H,1-3,9-13H2
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n/an/a 3.90n/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
5-hydroxytryptamine receptor 1A


(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 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
5-hydroxytryptamine receptor 1A


(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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50152004
PNG
(3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pipera...)
Show SMILES OC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
Show InChI InChI=1S/C25H29N3O4/c29-25(30)18-4-6-22-21(15-18)19(17-26-22)3-1-2-8-27-9-11-28(12-10-27)20-5-7-23-24(16-20)32-14-13-31-23/h4-7,15-17,26H,1-3,8-14H2,(H,29,30)
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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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50151995
PNG
(3-{4-[4-(4-Cyano-2-methoxy-phenyl)-piperazin-1-yl]...)
Show SMILES COc1cc(ccc1N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1)C#N
Show InChI InChI=1S/C25H27N5O/c1-31-25-15-20(17-27)6-8-24(25)30-12-10-29(11-13-30)9-3-2-4-21-18-28-23-7-5-19(16-26)14-22(21)23/h5-8,14-15,18,28H,2-4,9-13H2,1H3
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n/an/a 4.10n/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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50151992
PNG
(3-{4-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-butyl}-1...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C23H25FN4/c24-20-5-7-21(8-6-20)28-13-11-27(12-14-28)10-2-1-3-19-17-26-23-9-4-18(16-25)15-22(19)23/h4-9,15,17,26H,1-3,10-14H2
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n/an/a 4.20n/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: 4684-92 (2004)


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


(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
D(2) dopamine 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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n/an/a 4.90n/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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50152015
PNG
(3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pipera...)
Show SMILES Fc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
Show InChI InChI=1S/C24H28FN3O2/c25-19-4-6-22-21(15-19)18(17-26-22)3-1-2-8-27-9-11-28(12-10-27)20-5-7-23-24(16-20)30-14-13-29-23/h4-7,15-17,26H,1-3,8-14H2
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n/an/a 5n/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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151986
PNG
(5-{4-[4-(5-Fluoro-1H-indol-3-yl)-butyl]-piperazin-...)
Show SMILES Fc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4oc(cc4c3)C#N)c2c1
Show InChI InChI=1S/C25H25FN4O/c26-20-4-6-24-23(15-20)18(17-28-24)3-1-2-8-29-9-11-30(12-10-29)21-5-7-25-19(13-21)14-22(16-27)31-25/h4-7,13-15,17,28H,1-3,8-12H2
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n/an/a 5n/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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50152003
PNG
(3-[4-(4-Chroman-6-yl-piperazin-1-yl)-butyl]-1H-ind...)
Show SMILES N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCCc4c3)c2c1
Show InChI InChI=1S/C26H30N4O/c27-18-20-6-8-25-24(16-20)22(19-28-25)4-1-2-10-29-11-13-30(14-12-29)23-7-9-26-21(17-23)5-3-15-31-26/h6-9,16-17,19,28H,1-5,10-15H2
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n/an/a 5n/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))
BDBM50152009
PNG
(3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pipera...)
Show SMILES O=NCc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
Show InChI InChI=1S/C25H30N4O3/c30-27-17-19-4-6-23-22(15-19)20(18-26-23)3-1-2-8-28-9-11-29(12-10-28)21-5-7-24-25(16-21)32-14-13-31-24/h4-7,15-16,18,26H,1-3,8-14,17H2
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n/an/a 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))
BDBM50152025
PNG
(3-{4-[4-(4-Cyano-3,5-difluoro-phenyl)-piperazin-1-...)
Show SMILES Fc1cc(cc(F)c1C#N)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C24H23F2N5/c25-22-12-19(13-23(26)21(22)15-28)31-9-7-30(8-10-31)6-2-1-3-18-16-29-24-5-4-17(14-27)11-20(18)24/h4-5,11-13,16,29H,1-3,6-10H2
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n/an/a 5.40n/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))
BDBM50152021
PNG
(5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES NC(=O)c1c(ccc2occc12)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C26H27N5O2/c27-16-18-4-5-22-21(15-18)19(17-29-22)3-1-2-9-30-10-12-31(13-11-30)23-6-7-24-20(8-14-33-24)25(23)26(28)32/h4-8,14-15,17,29H,1-3,9-13H2,(H2,28,32)
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n/an/a 5.5n/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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50152006
PNG
(3-{4-[4-(2-Cyano-3-methoxy-phenyl)-piperazin-1-yl]...)
Show SMILES COc1cccc(N2CCN(CCCCc3c[nH]c4ccc(cc34)C#N)CC2)c1C#N
Show InChI InChI=1S/C25H27N5O/c1-31-25-7-4-6-24(22(25)17-27)30-13-11-29(12-14-30)10-3-2-5-20-18-28-23-9-8-19(16-26)15-21(20)23/h4,6-9,15,18,28H,2-3,5,10-14H2,1H3
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n/an/a 5.60n/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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50151988
PNG
(3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pipera...)
Show SMILES N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
Show InChI InChI=1S/C25H28N4O2/c26-17-19-4-6-23-22(15-19)20(18-27-23)3-1-2-8-28-9-11-29(12-10-28)21-5-7-24-25(16-21)31-14-13-30-24/h4-7,15-16,18,27H,1-3,8-14H2
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n/an/a 5.60n/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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50151981
PNG
(3-{4-[4-(1H-Indol-5-yl)-piperazin-1-yl]-butyl}-1H-...)
Show SMILES N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4[nH]ccc4c3)c2c1
Show InChI InChI=1S/C25H27N5/c26-17-19-4-6-25-23(15-19)21(18-28-25)3-1-2-10-29-11-13-30(14-12-29)22-5-7-24-20(16-22)8-9-27-24/h4-9,15-16,18,27-28H,1-3,10-14H2
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n/an/a 5.70n/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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50151995
PNG
(3-{4-[4-(4-Cyano-2-methoxy-phenyl)-piperazin-1-yl]...)
Show SMILES COc1cc(ccc1N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1)C#N
Show InChI InChI=1S/C25H27N5O/c1-31-25-15-20(17-27)6-8-24(25)30-12-10-29(11-13-30)9-3-2-4-21-18-28-23-7-5-19(16-26)14-22(21)23/h5-8,14-15,18,28H,2-4,9-13H2,1H3
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n/an/a 6n/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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151993
PNG
(3-{4-[4-(4-Hydroxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES Oc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C23H26N4O/c24-16-18-4-9-23-22(15-18)19(17-25-23)3-1-2-10-26-11-13-27(14-12-26)20-5-7-21(28)8-6-20/h4-9,15,17,25,28H,1-3,10-14H2
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n/an/a 6n/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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151991
PNG
(2-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES NC(=O)c1ccccc1N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C24H27N5O/c25-16-18-8-9-22-21(15-18)19(17-27-22)5-3-4-10-28-11-13-29(14-12-28)23-7-2-1-6-20(23)24(26)30/h1-2,6-9,15,17,27H,3-5,10-14H2,(H2,26,30)
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n/an/a 6.40n/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
D(2) dopamine 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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50152005
PNG
(3-{4-[4-(5-Chloro-2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccc(Cl)cc1N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C24H27ClN4O/c1-30-24-8-6-20(25)15-23(24)29-12-10-28(11-13-29)9-3-2-4-19-17-27-22-7-5-18(16-26)14-21(19)22/h5-8,14-15,17,27H,2-4,9-13H2,1H3
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n/an/a 6.80n/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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151995
PNG
(3-{4-[4-(4-Cyano-2-methoxy-phenyl)-piperazin-1-yl]...)
Show SMILES COc1cc(ccc1N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1)C#N
Show InChI InChI=1S/C25H27N5O/c1-31-25-15-20(17-27)6-8-24(25)30-12-10-29(11-13-30)9-3-2-4-21-18-28-23-7-5-19(16-26)14-22(21)23/h5-8,14-15,18,28H,2-4,9-13H2,1H3
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n/an/a 8n/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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50151998
PNG
(3-[4-(4-Benzofuran-5-yl-piperazin-1-yl)-butyl]-1H-...)
Show SMILES N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4occc4c3)c2c1
Show InChI InChI=1S/C25H26N4O/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/h4-8,14-16,18,27H,1-3,9-13H2
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n/an/a 8n/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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151997
PNG
(3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pipera...)
Show SMILES C(CCc1c[nH]c2ccccc12)CN1CCN(CC1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C24H29N3O2/c1-2-7-22-21(6-1)19(18-25-22)5-3-4-10-26-11-13-27(14-12-26)20-8-9-23-24(17-20)29-16-15-28-23/h1-2,6-9,17-18,25H,3-5,10-16H2
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n/an/a 8n/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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n/an/a 8.5n/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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151998
PNG
(3-[4-(4-Benzofuran-5-yl-piperazin-1-yl)-butyl]-1H-...)
Show SMILES N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4occc4c3)c2c1
Show InChI InChI=1S/C25H26N4O/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/h4-8,14-16,18,27H,1-3,9-13H2
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n/an/a 8.70n/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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50152009
PNG
(3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pipera...)
Show SMILES O=NCc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
Show InChI InChI=1S/C25H30N4O3/c30-27-17-19-4-6-23-22(15-19)20(18-26-23)3-1-2-8-28-9-11-29(12-10-28)21-5-7-24-25(16-21)32-14-13-31-24/h4-7,15-16,18,26H,1-3,8-14,17H2
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n/an/a 9.40n/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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50151997
PNG
(3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pipera...)
Show SMILES C(CCc1c[nH]c2ccccc12)CN1CCN(CC1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C24H29N3O2/c1-2-7-22-21(6-1)19(18-25-22)5-3-4-10-26-11-13-27(14-12-26)20-8-9-23-24(17-20)29-16-15-28-23/h1-2,6-9,17-18,25H,3-5,10-16H2
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n/an/a 10n/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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50152019
PNG
(4-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(C#N)c(c3)C#N)c2c1
Show InChI InChI=1S/C25H24N6/c26-15-19-4-7-25-24(13-19)21(18-29-25)3-1-2-8-30-9-11-31(12-10-30)23-6-5-20(16-27)22(14-23)17-28/h4-7,13-14,18,29H,1-3,8-12H2
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n/an/a 12n/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
D(2) dopamine 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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50152023
PNG
(5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES NC(=O)c1cc2cc(ccc2[nH]1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C26H28N6O/c27-16-18-4-6-24-22(13-18)19(17-29-24)3-1-2-8-31-9-11-32(12-10-31)21-5-7-23-20(14-21)15-25(30-23)26(28)33/h4-7,13-15,17,29-30H,1-3,8-12H2,(H2,28,33)
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n/an/a 14n/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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151985
PNG
(3-{4-[4-(4-Cyano-3-methoxy-phenyl)-piperazin-1-yl]...)
Show SMILES COc1cc(ccc1C#N)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C25H27N5O/c1-31-25-15-22(7-6-20(25)17-27)30-12-10-29(11-13-30)9-3-2-4-21-18-28-24-8-5-19(16-26)14-23(21)24/h5-8,14-15,18,28H,2-4,9-13H2,1H3
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n/an/a 14n/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))
BDBM50151991
PNG
(2-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES NC(=O)c1ccccc1N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C24H27N5O/c25-16-18-8-9-22-21(15-18)19(17-27-22)5-3-4-10-28-11-13-29(14-12-28)23-7-2-1-6-20(23)24(26)30/h1-2,6-9,15,17,27H,3-5,10-14H2,(H2,26,30)
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n/an/a 16n/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))
BDBM50151987
PNG
(5-Chloro-3-{4-[4-(2,3-dihydro-benzo[1,4]dioxin-6-y...)
Show SMILES Clc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
Show InChI InChI=1S/C24H28ClN3O2/c25-19-4-6-22-21(15-19)18(17-26-22)3-1-2-8-27-9-11-28(12-10-27)20-5-7-23-24(16-20)30-14-13-29-23/h4-7,15-17,26H,1-3,8-14H2
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n/an/a 20n/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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50151990
PNG
(3-[4-(4-{2-Cyano-3-[2-(2-ethoxy-ethoxy)-ethoxy]-ph...)
Show SMILES CCOCCOCCOc1cccc(N2CCN(CCCCc3c[nH]c4ccc(cc34)C#N)CC2)c1C#N
Show InChI InChI=1S/C30H37N5O3/c1-2-36-16-17-37-18-19-38-30-8-5-7-29(27(30)22-32)35-14-12-34(13-15-35)11-4-3-6-25-23-33-28-10-9-24(21-31)20-26(25)28/h5,7-10,20,23,33H,2-4,6,11-19H2,1H3
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n/an/a 28n/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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50152005
PNG
(3-{4-[4-(5-Chloro-2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccc(Cl)cc1N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C24H27ClN4O/c1-30-24-8-6-20(25)15-23(24)29-12-10-28(11-13-29)9-3-2-4-19-17-27-22-7-5-18(16-26)14-21(19)22/h5-8,14-15,17,27H,2-4,9-13H2,1H3
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n/an/a 30n/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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50151980
PNG
(3-[4-(4-Benzo[1,2,5]thiadiazol-5-yl-piperazin-1-yl...)
Show SMILES N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4nsnc4c3)c2c1
Show InChI InChI=1S/C23H24N6S/c24-15-17-4-6-21-20(13-17)18(16-25-21)3-1-2-8-28-9-11-29(12-10-28)19-5-7-22-23(14-19)27-30-26-22/h4-7,13-14,16,25H,1-3,8-12H2
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n/an/a 31n/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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50151993
PNG
(3-{4-[4-(4-Hydroxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES Oc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C23H26N4O/c24-16-18-4-9-23-22(15-18)19(17-25-23)3-1-2-10-26-11-13-27(14-12-26)20-5-7-21(28)8-6-20/h4-9,15,17,25,28H,1-3,10-14H2
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n/an/a 35n/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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50152025
PNG
(3-{4-[4-(4-Cyano-3,5-difluoro-phenyl)-piperazin-1-...)
Show SMILES Fc1cc(cc(F)c1C#N)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C24H23F2N5/c25-22-12-19(13-23(26)21(22)15-28)31-9-7-30(8-10-31)6-2-1-3-18-16-29-24-5-4-17(14-27)11-20(18)24/h4-5,11-13,16,29H,1-3,6-10H2
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n/an/a 36n/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
D(2) dopamine 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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50152016
PNG
(2-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3c(cccc3C#N)C#N)c2c1
Show InChI InChI=1S/C25H24N6/c26-15-19-7-8-24-23(14-19)22(18-29-24)4-1-2-9-30-10-12-31(13-11-30)25-20(16-27)5-3-6-21(25)17-28/h3,5-8,14,18,29H,1-2,4,9-13H2
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n/an/a 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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50152001
PNG
(4-{4-[4-(5-Fluoro-1H-indol-3-yl)-butyl]-piperazin-...)
Show SMILES Fc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(cc3)C#N)c2c1
Show InChI InChI=1S/C23H25FN4/c24-20-6-9-23-22(15-20)19(17-26-23)3-1-2-10-27-11-13-28(14-12-27)21-7-4-18(16-25)5-8-21/h4-9,15,17,26H,1-3,10-14H2
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n/an/a 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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151987
PNG
(5-Chloro-3-{4-[4-(2,3-dihydro-benzo[1,4]dioxin-6-y...)
Show SMILES Clc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
Show InChI InChI=1S/C24H28ClN3O2/c25-19-4-6-22-21(15-19)18(17-26-22)3-1-2-8-27-9-11-28(12-10-27)20-5-7-23-24(16-20)30-14-13-29-23/h4-7,15-17,26H,1-3,8-14H2
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n/an/a 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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50151999
PNG
(3-{4-[4-(3,4-Dimethoxy-phenyl)-piperazin-1-yl]-but...)
Show SMILES COc1ccc(cc1OC)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C25H30N4O2/c1-30-24-9-7-21(16-25(24)31-2)29-13-11-28(12-14-29)10-4-3-5-20-18-27-23-8-6-19(17-26)15-22(20)23/h6-9,15-16,18,27H,3-5,10-14H2,1-2H3
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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
D(2) dopamine 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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50152003
PNG
(3-[4-(4-Chroman-6-yl-piperazin-1-yl)-butyl]-1H-ind...)
Show SMILES N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCCc4c3)c2c1
Show InChI InChI=1S/C26H30N4O/c27-18-20-6-8-25-24(16-20)22(19-28-25)4-1-2-10-29-11-13-30(14-12-29)23-7-9-26-21(17-23)5-3-15-31-26/h6-9,16-17,19,28H,1-5,10-15H2
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n/an/a<42n/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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50152010
PNG
(3-{4-[4-(3-Cyano-4-hydroxy-phenyl)-piperazin-1-yl]...)
Show SMILES Oc1ccc(cc1C#N)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C24H25N5O/c25-15-18-4-6-23-22(13-18)19(17-27-23)3-1-2-8-28-9-11-29(12-10-28)21-5-7-24(30)20(14-21)16-26/h4-7,13-14,17,27,30H,1-3,8-12H2
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n/an/a 43n/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
D(2) dopamine 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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50151991
PNG
(2-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES NC(=O)c1ccccc1N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C24H27N5O/c25-16-18-8-9-22-21(15-18)19(17-27-22)5-3-4-10-28-11-13-29(14-12-28)23-7-2-1-6-20(23)24(26)30/h1-2,6-9,15,17,27H,3-5,10-14H2,(H2,26,30)
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n/an/a 47n/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))
BDBM50152018
PNG
(3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pipera...)
Show SMILES COC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
Show InChI InChI=1S/C26H31N3O4/c1-31-26(30)19-5-7-23-22(16-19)20(18-27-23)4-2-3-9-28-10-12-29(13-11-28)21-6-8-24-25(17-21)33-15-14-32-24/h5-8,16-18,27H,2-4,9-15H2,1H3
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n/an/a 50n/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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151999
PNG
(3-{4-[4-(3,4-Dimethoxy-phenyl)-piperazin-1-yl]-but...)
Show SMILES COc1ccc(cc1OC)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C25H30N4O2/c1-30-24-9-7-21(16-25(24)31-2)29-13-11-28(12-14-29)10-4-3-5-20-18-27-23-8-6-19(17-26)15-22(20)23/h6-9,15-16,18,27H,3-5,10-14H2,1-2H3
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n/an/a 60n/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
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50151982
PNG
(5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES NC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)
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n/an/a 71n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of rat dopamine D3 receptor


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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50151994
PNG
(3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pipera...)
Show SMILES Oc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
Show InChI InChI=1S/C24H29N3O3/c28-20-5-6-22-21(16-20)18(17-25-22)3-1-2-8-26-9-11-27(12-10-26)19-4-7-23-24(15-19)30-14-13-29-23/h4-7,15-17,25,28H,1-3,8-14H2
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n/an/a 77n/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
D(2) dopamine 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 95n/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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50152001
PNG
(4-{4-[4-(5-Fluoro-1H-indol-3-yl)-butyl]-piperazin-...)
Show SMILES Fc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(cc3)C#N)c2c1
Show InChI InChI=1S/C23H25FN4/c24-20-6-9-23-22(15-20)19(17-26-23)3-1-2-10-27-11-13-28(14-12-27)21-7-4-18(16-25)5-8-21/h4-9,15,17,26H,1-3,10-14H2
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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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50152004
PNG
(3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pipera...)
Show SMILES OC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
Show InChI InChI=1S/C25H29N3O4/c29-25(30)18-4-6-22-21(15-18)19(17-26-22)3-1-2-8-27-9-11-28(12-10-27)20-5-7-23-24(16-20)32-14-13-31-23/h4-7,15-17,26H,1-3,8-14H2,(H,29,30)
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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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50152018
PNG
(3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pipera...)
Show SMILES COC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
Show InChI InChI=1S/C26H31N3O4/c1-31-26(30)19-5-7-23-22(16-19)20(18-27-23)4-2-3-9-28-10-12-29(13-11-28)21-6-8-24-25(17-21)33-15-14-32-24/h5-8,16-18,27H,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
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
D(2) dopamine 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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50152016
PNG
(2-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3c(cccc3C#N)C#N)c2c1
Show InChI InChI=1S/C25H24N6/c26-15-19-7-8-24-23(14-19)22(18-29-24)4-1-2-9-30-10-12-31(13-11-30)25-20(16-27)5-3-6-21(25)17-28/h3,5-8,14,18,29H,1-2,4,9-13H2
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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
D(2) dopamine 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
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
D(2) dopamine 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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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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50151987
PNG
(5-Chloro-3-{4-[4-(2,3-dihydro-benzo[1,4]dioxin-6-y...)
Show SMILES Clc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
Show InChI InChI=1S/C24H28ClN3O2/c25-19-4-6-22-21(15-19)18(17-26-22)3-1-2-8-27-9-11-28(12-10-27)20-5-7-23-24(16-20)30-14-13-29-23/h4-7,15-17,26H,1-3,8-14H2
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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))
BDBM50151952
PNG
(3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pipera...)
Show SMILES COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
Show InChI InChI=1S/C25H31N3O3/c1-29-21-6-7-23-22(17-21)19(18-26-23)4-2-3-9-27-10-12-28(13-11-27)20-5-8-24-25(16-20)31-15-14-30-24/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
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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50151997
PNG
(3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pipera...)
Show SMILES C(CCc1c[nH]c2ccccc12)CN1CCN(CC1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C24H29N3O2/c1-2-7-22-21(6-1)19(18-25-22)5-3-4-10-26-11-13-27(14-12-26)20-8-9-23-24(17-20)29-16-15-28-23/h1-2,6-9,17-18,25H,3-5,10-16H2
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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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50152013
PNG
(6-{4-[4-(5-Fluoro-1H-indol-3-yl)-butyl]-piperazin-...)
Show SMILES Fc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4oc(=O)ccc4c3)c2c1
Show InChI InChI=1S/C25H26FN3O2/c26-20-5-7-23-22(16-20)19(17-27-23)3-1-2-10-28-11-13-29(14-12-28)21-6-8-24-18(15-21)4-9-25(30)31-24/h4-9,15-17,27H,1-3,10-14H2
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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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50151986
PNG
(5-{4-[4-(5-Fluoro-1H-indol-3-yl)-butyl]-piperazin-...)
Show SMILES Fc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4oc(cc4c3)C#N)c2c1
Show InChI InChI=1S/C25H25FN4O/c26-20-4-6-24-23(15-20)18(17-28-24)3-1-2-8-29-9-11-30(12-10-29)21-5-7-25-19(13-21)14-22(16-27)31-25/h4-7,13-15,17,28H,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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50152014
PNG
(4-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES NC(=O)c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C24H27N5O/c25-16-18-4-9-23-22(15-18)20(17-27-23)3-1-2-10-28-11-13-29(14-12-28)21-7-5-19(6-8-21)24(26)30/h4-9,15,17,27H,1-3,10-14H2,(H2,26,30)
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n/an/a 118n/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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50151952
PNG
(3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pipera...)
Show SMILES COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
Show InChI InChI=1S/C25H31N3O3/c1-29-21-6-7-23-22(17-21)19(18-26-23)4-2-3-9-27-10-12-28(13-11-27)20-5-8-24-25(16-20)31-15-14-30-24/h5-8,16-18,26H,2-4,9-15H2,1H3
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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: 4684-92 (2004)


Article DOI: 10.1021/jm040793q
BindingDB Entry DOI: 10.7270/Q2513XPS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50152015
PNG
(3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pipera...)
Show SMILES Fc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
Show InChI InChI=1S/C24H28FN3O2/c25-19-4-6-22-21(15-19)18(17-26-22)3-1-2-8-27-9-11-28(12-10-27)20-5-7-23-24(16-20)30-14-13-29-23/h4-7,15-17,26H,1-3,8-14H2
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n/an/a 130n/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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50152023
PNG
(5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES NC(=O)c1cc2cc(ccc2[nH]1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C26H28N6O/c27-16-18-4-6-24-22(13-18)19(17-29-24)3-1-2-8-31-9-11-32(12-10-31)21-5-7-23-20(14-21)15-25(30-23)26(28)33/h4-7,13-15,17,29-30H,1-3,8-12H2,(H2,28,33)
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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: 4684-92 (2004)


Article DOI: 10.1021/jm040793q
BindingDB Entry DOI: 10.7270/Q2513XPS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50152021
PNG
(5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES NC(=O)c1c(ccc2occc12)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C26H27N5O2/c27-16-18-4-5-22-21(15-18)19(17-29-22)3-1-2-9-30-10-12-31(13-11-30)23-6-7-24-20(8-14-33-24)25(23)26(28)32/h4-8,14-15,17,29H,1-3,9-13H2,(H2,28,32)
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n/an/a 220n/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
5-hydroxytryptamine receptor 4


(RAT)
BDBM50151982
PNG
(5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES NC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)
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n/an/a 252n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of rat hydroxytryptamine 4 receptor


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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50151979
PNG
(3-{4-[4-(4-Cyano-phenyl)-piperazin-1-yl]-butyl}-1H...)
Show SMILES N#Cc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C24H25N5/c25-16-19-4-7-22(8-5-19)29-13-11-28(12-14-29)10-2-1-3-21-18-27-24-9-6-20(17-26)15-23(21)24/h4-9,15,18,27H,1-3,10-14H2
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n/an/a 255n/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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50152014
PNG
(4-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES NC(=O)c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C24H27N5O/c25-16-18-4-9-23-22(15-18)20(17-27-23)3-1-2-10-28-11-13-29(14-12-28)21-7-5-19(6-8-21)24(26)30/h4-9,15,17,27H,1-3,10-14H2,(H2,26,30)
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n/an/a>270n/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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50152010
PNG
(3-{4-[4-(3-Cyano-4-hydroxy-phenyl)-piperazin-1-yl]...)
Show SMILES Oc1ccc(cc1C#N)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C24H25N5O/c25-15-18-4-6-23-22(13-18)19(17-27-23)3-1-2-8-28-9-11-29(12-10-28)21-5-7-24(30)20(14-21)16-26/h4-7,13-14,17,27,30H,1-3,8-12H2
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n/an/a 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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50152020
PNG
(3-[4-(4-Phenyl-piperazin-1-yl)-butyl]-1H-indole-5-...)
Show SMILES N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccccc3)c2c1
Show InChI InChI=1S/C23H26N4/c24-17-19-9-10-23-22(16-19)20(18-25-23)6-4-5-11-26-12-14-27(15-13-26)21-7-2-1-3-8-21/h1-3,7-10,16,18,25H,4-6,11-15H2
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n/an/a 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
D(2) dopamine 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>630n/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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50151982
PNG
(5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES NC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)
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n/an/a 666n/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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50151983
PNG
(3-{4-[4-(2-Oxo-2H-chromen-6-yl)-piperazin-1-yl]-bu...)
Show SMILES O=c1ccc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C26H26N4O2/c27-17-19-4-7-24-23(15-19)21(18-28-24)3-1-2-10-29-11-13-30(14-12-29)22-6-8-25-20(16-22)5-9-26(31)32-25/h4-9,15-16,18,28H,1-3,10-14H2
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n/an/a 740n/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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50151996
PNG
(5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES NC(=O)C1Cc2cc(ccc2O1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C26H29N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-14,17,25,29H,1-3,8-12,15H2,(H2,28,32)
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n/an/a 1.40E+3n/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
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50151982
PNG
(5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES NC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)
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n/an/a 1.51E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of rat hydroxytryptamine 2A receptor


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
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50151982
PNG
(5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES NC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)
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n/an/a 1.98E+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: 4684-92 (2004)


Article DOI: 10.1021/jm040793q
BindingDB Entry DOI: 10.7270/Q2513XPS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50151982
PNG
(5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES NC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of rat hydroxytryptamine 2C receptor


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
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM50151982
PNG
(5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES NC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of rat hydroxytryptamine 7 receptor


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
5-hydroxytryptamine receptor 6


(RAT)
BDBM50151982
PNG
(5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES NC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of rat hydroxytryptamine 6 receptor


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
D(4) dopamine receptor


(RAT)
BDBM50151982
PNG
(5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES NC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of rat dopamine D4 receptor


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
5-hydroxytryptamine receptor 1D


(RAT)
BDBM50151982
PNG
(5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES NC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of rat hydroxytryptamine 1D receptor


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
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)
BDBM50151982
PNG
(5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES NC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)
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n/an/a 4.30E+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: 4684-92 (2004)


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


(Rattus norvegicus (Rat))
BDBM50151982
PNG
(5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES NC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of rat hydroxytryptamine 1B receptor


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
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50151982
PNG
(5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES NC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)
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n/an/a 6.00E+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: 4684-92 (2004)


Article DOI: 10.1021/jm040793q
BindingDB Entry DOI: 10.7270/Q2513XPS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%