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3 similar compounds to monomer 50167013

Compile data set for download or QSAR
Wt: 375.4
BDBM50076414
Wt: 403.5
BDBM50076424
Wt: 437.5
BDBM50076397

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50076414,50076424,50076397   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50076414
PNG
(2-(4-Methyl-piperazin-1-yl)-4-phenyl-quinoline-3-c...)
Show SMILES CCOC(=O)c1c(nc2ccccc2c1-c1ccccc1)N1CCN(C)CC1
Show InChI InChI=1S/C23H25N3O2/c1-3-28-23(27)21-20(17-9-5-4-6-10-17)18-11-7-8-12-19(18)24-22(21)26-15-13-25(2)14-16-26/h4-12H,3,13-16H2,1-2H3
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PubMed
4.10n/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
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(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
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50076424
PNG
(2-(4-Methyl-piperazin-1-yl)-4-phenyl-quinoline-3-c...)
Show SMILES CCCCOC(=O)c1c(nc2ccccc2c1-c1ccccc1)N1CCN(C)CC1
Show InChI InChI=1S/C25H29N3O2/c1-3-4-18-30-25(29)23-22(19-10-6-5-7-11-19)20-12-8-9-13-21(20)26-24(23)28-16-14-27(2)15-17-28/h5-13H,3-4,14-18H2,1-2H3
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12n/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
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(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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UniProtKB/SwissProt

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UniChem

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PubMed
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
Serotonin (5-HT) receptor


(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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PubMed
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
Serotonin 1B/1D receptor


(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
Serotonin (5-HT) receptor


(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