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8 similar compounds to monomer 81497

Compile data set for download or QSAR
Wt: 320.3
BDBM50015710
Wt: 280.3
BDBM50082000
Wt: 280.3
BDBM50081969
Wt: 266.3
BDBM50081972
Wt: 266.3
BDBM50081984
Wt: 291.3
BDBM50081988
Wt: 280.3
BDBM50081993
Wt: 294.3
BDBM50081998

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50015710,50082000,50081969,50081972,50081984,50081988,50081993,50081998   
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 (5-HT) receptor


(RAT)
BDBM50081969
PNG
(9-Methyl-4-(4-methyl-piperazin-1-yl)-pyrrolo[1,2-a...)
Show SMILES CN1CCN(CC1)c1nc2cccc(C)c2n2cccc12
Show InChI InChI=1S/C17H20N4/c1-13-5-3-6-14-16(13)21-8-4-7-15(21)17(18-14)20-11-9-19(2)10-12-20/h3-8H,9-12H2,1-2H3
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0.790n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate


J Med Chem 52: 6946-50 (2009)


Article DOI: 10.1021/jm901126m
BindingDB Entry DOI: 10.7270/Q2H9963M
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50081969
PNG
(9-Methyl-4-(4-methyl-piperazin-1-yl)-pyrrolo[1,2-a...)
Show SMILES CN1CCN(CC1)c1nc2cccc(C)c2n2cccc12
Show InChI InChI=1S/C17H20N4/c1-13-5-3-6-14-16(13)21-8-4-7-15(21)17(18-14)20-11-9-19(2)10-12-20/h3-8H,9-12H2,1-2H3
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0.800n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]zacopride from 5HT3 receptor in rat cortex


J Med Chem 52: 3548-62 (2009)


Article DOI: 10.1021/jm900018b
BindingDB Entry DOI: 10.7270/Q2M908K7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50081969
PNG
(9-Methyl-4-(4-methyl-piperazin-1-yl)-pyrrolo[1,2-a...)
Show SMILES CN1CCN(CC1)c1nc2cccc(C)c2n2cccc12
Show InChI InChI=1S/C17H20N4/c1-13-5-3-6-14-16(13)21-8-4-7-15(21)17(18-14)20-11-9-19(2)10-12-20/h3-8H,9-12H2,1-2H3
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501n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in rat cortex


J Med Chem 52: 3548-62 (2009)


Article DOI: 10.1021/jm900018b
BindingDB Entry DOI: 10.7270/Q2M908K7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50081969
PNG
(9-Methyl-4-(4-methyl-piperazin-1-yl)-pyrrolo[1,2-a...)
Show SMILES CN1CCN(CC1)c1nc2cccc(C)c2n2cccc12
Show InChI InChI=1S/C17H20N4/c1-13-5-3-6-14-16(13)21-8-4-7-15(21)17(18-14)20-11-9-19(2)10-12-20/h3-8H,9-12H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OHDPAT from 5HT1A receptor in rat hippocampus


J Med Chem 52: 3548-62 (2009)


Article DOI: 10.1021/jm900018b
BindingDB Entry DOI: 10.7270/Q2M908K7
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50081969
PNG
(9-Methyl-4-(4-methyl-piperazin-1-yl)-pyrrolo[1,2-a...)
Show SMILES CN1CCN(CC1)c1nc2cccc(C)c2n2cccc12
Show InChI InChI=1S/C17H20N4/c1-13-5-3-6-14-16(13)21-8-4-7-15(21)17(18-14)20-11-9-19(2)10-12-20/h3-8H,9-12H2,1-2H3
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n/an/a 0.260n/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against 5-hydroxytryptamine 3 receptor from NG108-15 cells using [3H]-zacopride as radioligand


J Med Chem 42: 4362-79 (1999)


Article DOI: 10.1021/jm990151g
BindingDB Entry DOI: 10.7270/Q2S75FJM
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Homo sapiens (Human))
BDBM50081972
PNG
(9-Methyl-4-piperazin-1-yl-pyrrolo[1,2-a]quinoxalin...)
Show SMILES Cc1cccc2nc(N3CCNCC3)c3cccn3c12
Show InChI InChI=1S/C16H18N4/c1-12-4-2-5-13-15(12)20-9-3-6-14(20)16(18-13)19-10-7-17-8-11-19/h2-6,9,17H,7-8,10-11H2,1H3
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n/an/an/an/a 9.5n/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Effective concentration against 5-Hydroxytryptamine 3 receptor by measuring [14C]-guanidinium uptake on NG108-15 cells.


J Med Chem 42: 4362-79 (1999)


Article DOI: 10.1021/jm990151g
BindingDB Entry DOI: 10.7270/Q2S75FJM
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50081984
PNG
(7-Methyl-4-piperazin-1-yl-pyrrolo[1,2-a]quinoxalin...)
Show SMILES Cc1ccc2c(c1)nc(N1CCNCC1)c1cccn21
Show InChI InChI=1S/C16H18N4/c1-12-4-5-14-13(11-12)18-16(15-3-2-8-20(14)15)19-9-6-17-7-10-19/h2-5,8,11,17H,6-7,9-10H2,1H3
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n/an/a 16.4n/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor from rat cortical homogenate using [3H]-zacopride as radioligand


J Med Chem 42: 4362-79 (1999)


Article DOI: 10.1021/jm990151g
BindingDB Entry DOI: 10.7270/Q2S75FJM
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50081972
PNG
(9-Methyl-4-piperazin-1-yl-pyrrolo[1,2-a]quinoxalin...)
Show SMILES Cc1cccc2nc(N3CCNCC3)c3cccn3c12
Show InChI InChI=1S/C16H18N4/c1-12-4-2-5-13-15(12)20-9-3-6-14(20)16(18-13)19-10-7-17-8-11-19/h2-6,9,17H,7-8,10-11H2,1H3
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n/an/a 1.13n/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor from rat cortical homogenate using [3H]-zacopride as radioligand


J Med Chem 42: 4362-79 (1999)


Article DOI: 10.1021/jm990151g
BindingDB Entry DOI: 10.7270/Q2S75FJM
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50081988
PNG
(4-(4-Methyl-piperazin-1-yl)-pyrrolo[1,2-a]quinoxal...)
Show SMILES CN1CCN(CC1)c1nc2cc(ccc2n2cccc12)C#N
Show InChI InChI=1S/C17H17N5/c1-20-7-9-21(10-8-20)17-16-3-2-6-22(16)15-5-4-13(12-18)11-14(15)19-17/h2-6,11H,7-10H2,1H3
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n/an/a 104n/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor from rat cortical homogenate using [3H]-zacopride as radioligand


J Med Chem 42: 4362-79 (1999)


Article DOI: 10.1021/jm990151g
BindingDB Entry DOI: 10.7270/Q2S75FJM
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50081969
PNG
(9-Methyl-4-(4-methyl-piperazin-1-yl)-pyrrolo[1,2-a...)
Show SMILES CN1CCN(CC1)c1nc2cccc(C)c2n2cccc12
Show InChI InChI=1S/C17H20N4/c1-13-5-3-6-14-16(13)21-8-4-7-15(21)17(18-14)20-11-9-19(2)10-12-20/h3-8H,9-12H2,1-2H3
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n/an/a 0.790n/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor from rat cortical homogenate using [3H]-zacopride as radioligand


J Med Chem 42: 4362-79 (1999)


Article DOI: 10.1021/jm990151g
BindingDB Entry DOI: 10.7270/Q2S75FJM
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Homo sapiens (Human))
BDBM50081993
PNG
(7-Methyl-4-(4-methyl-piperazin-1-yl)-pyrrolo[1,2-a...)
Show SMILES CN1CCN(CC1)c1nc2cc(C)ccc2n2cccc12
Show InChI InChI=1S/C17H20N4/c1-13-5-6-15-14(12-13)18-17(16-4-3-7-21(15)16)20-10-8-19(2)9-11-20/h3-7,12H,8-11H2,1-2H3
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n/an/an/an/a 14n/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Effective concentration against 5-Hydroxytryptamine 3 receptor by measuring [14C]-guanidinium uptake on NG108-15 cells.


J Med Chem 42: 4362-79 (1999)


Article DOI: 10.1021/jm990151g
BindingDB Entry DOI: 10.7270/Q2S75FJM
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Homo sapiens (Human))
BDBM50081969
PNG
(9-Methyl-4-(4-methyl-piperazin-1-yl)-pyrrolo[1,2-a...)
Show SMILES CN1CCN(CC1)c1nc2cccc(C)c2n2cccc12
Show InChI InChI=1S/C17H20N4/c1-13-5-3-6-14-16(13)21-8-4-7-15(21)17(18-14)20-11-9-19(2)10-12-20/h3-8H,9-12H2,1-2H3
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n/an/an/an/a 3.80n/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Effective concentration against 5-Hydroxytryptamine 3 receptor by measuring [14C]-guanidinium uptake on NG108-15 cells.


J Med Chem 42: 4362-79 (1999)


Article DOI: 10.1021/jm990151g
BindingDB Entry DOI: 10.7270/Q2S75FJM
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50081998
PNG
(7,8-Dimethyl-4-(4-methyl-piperazin-1-yl)-pyrrolo[1...)
Show SMILES CN1CCN(CC1)c1nc2cc(C)c(C)cc2n2cccc12
Show InChI InChI=1S/C18H22N4/c1-13-11-15-17(12-14(13)2)22-6-4-5-16(22)18(19-15)21-9-7-20(3)8-10-21/h4-6,11-12H,7-10H2,1-3H3
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n/an/a 30n/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor from rat cortical homogenate using [3H]-zacopride as radioligand


J Med Chem 42: 4362-79 (1999)


Article DOI: 10.1021/jm990151g
BindingDB Entry DOI: 10.7270/Q2S75FJM
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50082000
PNG
(7,8-Dimethyl-4-piperazin-1-yl-pyrrolo[1,2-a]quinox...)
Show SMILES Cc1cc2nc(N3CCNCC3)c3cccn3c2cc1C
Show InChI InChI=1S/C17H20N4/c1-12-10-14-16(11-13(12)2)21-7-3-4-15(21)17(19-14)20-8-5-18-6-9-20/h3-4,7,10-11,18H,5-6,8-9H2,1-2H3
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n/an/a 113n/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor from rat cortical homogenate using [3H]-zacopride as radioligand


J Med Chem 42: 4362-79 (1999)


Article DOI: 10.1021/jm990151g
BindingDB Entry DOI: 10.7270/Q2S75FJM
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50081993
PNG
(7-Methyl-4-(4-methyl-piperazin-1-yl)-pyrrolo[1,2-a...)
Show SMILES CN1CCN(CC1)c1nc2cc(C)ccc2n2cccc12
Show InChI InChI=1S/C17H20N4/c1-13-5-6-15-14(12-13)18-17(16-4-3-7-21(15)16)20-10-8-19(2)9-11-20/h3-7,12H,8-11H2,1-2H3
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n/an/a 18n/an/an/an/an/an/a



Universita' degli Studi di Salerno

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor from rat cortical homogenate using [3H]-zacopride as radioligand


J Med Chem 42: 4362-79 (1999)


Article DOI: 10.1021/jm990151g
BindingDB Entry DOI: 10.7270/Q2S75FJM
More data for this
Ligand-Target Pair
HTR3A


(GUINEA PIG)
BDBM50081969
PNG
(9-Methyl-4-(4-methyl-piperazin-1-yl)-pyrrolo[1,2-a...)
Show SMILES CN1CCN(CC1)c1nc2cccc(C)c2n2cccc12
Show InChI InChI=1S/C17H20N4/c1-13-5-3-6-14-16(13)21-8-4-7-15(21)17(18-14)20-11-9-19(2)10-12-20/h3-8H,9-12H2,1-2H3
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n/an/an/a 955n/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT3 receptor in spontaneously beating guinea pig right atrium assessed as inhibition of serotonin-induced maximum response by...


J Med Chem 52: 6946-50 (2009)


Article DOI: 10.1021/jm901126m
BindingDB Entry DOI: 10.7270/Q2H9963M
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50015710
PNG
(4-Piperazin-1-yl-7-trifluoromethyl-pyrrolo[1,2-a]q...)
Show SMILES FC(F)(F)c1ccc2c(c1)nc(N1CCNCC1)c1cccn21
Show InChI InChI=1S/C16H15F3N4/c17-16(18,19)11-3-4-13-12(10-11)21-15(14-2-1-7-23(13)14)22-8-5-20-6-9-22/h1-4,7,10,20H,5-6,8-9H2
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n/an/a 37n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from rat cortex 5-hydroxytryptamine 1A receptor


J Med Chem 33: 2087-93 (1990)


Article DOI: 10.1021/jm00170a007
BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50015710
PNG
(4-Piperazin-1-yl-7-trifluoromethyl-pyrrolo[1,2-a]q...)
Show SMILES FC(F)(F)c1ccc2c(c1)nc(N1CCNCC1)c1cccn21
Show InChI InChI=1S/C16H15F3N4/c17-16(18,19)11-3-4-13-12(10-11)21-15(14-2-1-7-23(13)14)22-8-5-20-6-9-22/h1-4,7,10,20H,5-6,8-9H2
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n/an/a 21n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat cortex using [3H]-5-HT


J Med Chem 33: 2087-93 (1990)


Article DOI: 10.1021/jm00170a007
BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50015710
PNG
(4-Piperazin-1-yl-7-trifluoromethyl-pyrrolo[1,2-a]q...)
Show SMILES FC(F)(F)c1ccc2c(c1)nc(N1CCNCC1)c1cccn21
Show InChI InChI=1S/C16H15F3N4/c17-16(18,19)11-3-4-13-12(10-11)21-15(14-2-1-7-23(13)14)22-8-5-20-6-9-22/h1-4,7,10,20H,5-6,8-9H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against 5-hydroxytryptamine 2 receptor of rat anterior cortex using [3H]ketanserin as the radiolig...


J Med Chem 33: 2087-93 (1990)


Article DOI: 10.1021/jm00170a007
BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50015710
PNG
(4-Piperazin-1-yl-7-trifluoromethyl-pyrrolo[1,2-a]q...)
Show SMILES FC(F)(F)c1ccc2c(c1)nc(N1CCNCC1)c1cccn21
Show InChI InChI=1S/C16H15F3N4/c17-16(18,19)11-3-4-13-12(10-11)21-15(14-2-1-7-23(13)14)22-8-5-20-6-9-22/h1-4,7,10,20H,5-6,8-9H2
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n/an/a 1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against 5-hydroxytryptamine 1C receptor of pig choroid plexus using [3H]-mesulergine as the radiol...


J Med Chem 33: 2087-93 (1990)


Article DOI: 10.1021/jm00170a007
BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50015710
PNG
(4-Piperazin-1-yl-7-trifluoromethyl-pyrrolo[1,2-a]q...)
Show SMILES FC(F)(F)c1ccc2c(c1)nc(N1CCNCC1)c1cccn21
Show InChI InChI=1S/C16H15F3N4/c17-16(18,19)11-3-4-13-12(10-11)21-15(14-2-1-7-23(13)14)22-8-5-20-6-9-22/h1-4,7,10,20H,5-6,8-9H2
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against 5-hydroxytryptamine 1D receptor of bovine caudate using [3H]-5-HT as the radioligand


J Med Chem 33: 2087-93 (1990)


Article DOI: 10.1021/jm00170a007
BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair