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Compile Data Set for Download or QSAR

Found 6 hits of ki for monomerid = 50076397   
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 3A/3B


(Rattus norvegicus-RAT)
BDBM50076397
PNG
(Benzoic acid 2-(4-methyl-piperazin-1-yl)-4-phenyl-...)
Show SMILES CN1CCN(CC1)c1nc2ccccc2c(-c2ccccc2)c1COC(=O)c1ccccc1
Show InChI InChI=1S/C28H27N3O2/c1-30-16-18-31(19-17-30)27-24(20-33-28(32)22-12-6-3-7-13-22)26(21-10-4-2-5-11-21)23-14-8-9-15-25(23)29-27/h2-15H,16-20H2,1H3
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8.80n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of [3H]granisetron binding to 5-hydroxytryptamine 3 receptor (5-HT 3 receptor) of rat cortex and hippocampus tissue


J Med Chem 42: 1556-75 (1999)


Article DOI: 10.1021/jm981112s
BindingDB Entry DOI: 10.7270/Q2D50NPW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50076397
PNG
(Benzoic acid 2-(4-methyl-piperazin-1-yl)-4-phenyl-...)
Show SMILES CN1CCN(CC1)c1nc2ccccc2c(-c2ccccc2)c1COC(=O)c1ccccc1
Show InChI InChI=1S/C28H27N3O2/c1-30-16-18-31(19-17-30)27-24(20-33-28(32)22-12-6-3-7-13-22)26(21-10-4-2-5-11-21)23-14-8-9-15-25(23)29-27/h2-15H,16-20H2,1H3
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31n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2C receptor of rat cortex


J Med Chem 42: 1556-75 (1999)


Article DOI: 10.1021/jm981112s
BindingDB Entry DOI: 10.7270/Q2D50NPW
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50076397
PNG
(Benzoic acid 2-(4-methyl-piperazin-1-yl)-4-phenyl-...)
Show SMILES CN1CCN(CC1)c1nc2ccccc2c(-c2ccccc2)c1COC(=O)c1ccccc1
Show InChI InChI=1S/C28H27N3O2/c1-30-16-18-31(19-17-30)27-24(20-33-28(32)22-12-6-3-7-13-22)26(21-10-4-2-5-11-21)23-14-8-9-15-25(23)29-27/h2-15H,16-20H2,1H3
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1.10E+3n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter was determined in rat forebrain membrane


J Med Chem 42: 1556-75 (1999)


Article DOI: 10.1021/jm981112s
BindingDB Entry DOI: 10.7270/Q2D50NPW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50076397
PNG
(Benzoic acid 2-(4-methyl-piperazin-1-yl)-4-phenyl-...)
Show SMILES CN1CCN(CC1)c1nc2ccccc2c(-c2ccccc2)c1COC(=O)c1ccccc1
Show InChI InChI=1S/C28H27N3O2/c1-30-16-18-31(19-17-30)27-24(20-33-28(32)22-12-6-3-7-13-22)26(21-10-4-2-5-11-21)23-14-8-9-15-25(23)29-27/h2-15H,16-20H2,1H3
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4.10E+3n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor of rat hippocampus tissue.


J Med Chem 42: 1556-75 (1999)


Article DOI: 10.1021/jm981112s
BindingDB Entry DOI: 10.7270/Q2D50NPW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))
BDBM50076397
PNG
(Benzoic acid 2-(4-methyl-piperazin-1-yl)-4-phenyl-...)
Show SMILES CN1CCN(CC1)c1nc2ccccc2c(-c2ccccc2)c1COC(=O)c1ccccc1
Show InChI InChI=1S/C28H27N3O2/c1-30-16-18-31(19-17-30)27-24(20-33-28(32)22-12-6-3-7-13-22)26(21-10-4-2-5-11-21)23-14-8-9-15-25(23)29-27/h2-15H,16-20H2,1H3
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7.60E+3n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1B receptor of rat striatum


J Med Chem 42: 1556-75 (1999)


Article DOI: 10.1021/jm981112s
BindingDB Entry DOI: 10.7270/Q2D50NPW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50076397
PNG
(Benzoic acid 2-(4-methyl-piperazin-1-yl)-4-phenyl-...)
Show SMILES CN1CCN(CC1)c1nc2ccccc2c(-c2ccccc2)c1COC(=O)c1ccccc1
Show InChI InChI=1S/C28H27N3O2/c1-30-16-18-31(19-17-30)27-24(20-33-28(32)22-12-6-3-7-13-22)26(21-10-4-2-5-11-21)23-14-8-9-15-25(23)29-27/h2-15H,16-20H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2A receptor of rat pre-frontal cortex


J Med Chem 42: 1556-75 (1999)


Article DOI: 10.1021/jm981112s
BindingDB Entry DOI: 10.7270/Q2D50NPW
More data for this
Ligand-Target Pair