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26 similar compounds to monomer 50167002

Compile data set for download or QSAR
Wt: 396.5
BDBM50166981
Wt: 338.4
BDBM50166983
Wt: 382.5
BDBM50166985
Wt: 324.4
BDBM50166986
Wt: 416.5
BDBM50166988
Wt: 396.5
BDBM50166989
Wt: 368.5
BDBM50166990
Wt: 424.6
BDBM50166992
Wt: 336.4
BDBM50166997
Wt: 326.4
BDBM50166998
Wt: 402.5
BDBM50166999
Wt: 354.4
BDBM50167000
Wt: 388.5
BDBM50167005
Wt: 452.6
BDBM50167006
Wt: 408.9
BDBM50167008
Displayed 1 to 15 (of 26 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50166981,50166983,50166985,50166986,50166988,50166989,50166990,50166992,50166997,50166998,50166999,50167000,50167005,50167006,50167008   
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)
BDBM50166997
PNG
(3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-c...)
Show SMILES CN(CC#C)C(=O)c1c(C)c(nc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C20H24N4O/c1-5-10-23(4)20(25)18-15(2)19(24-13-11-22(3)12-14-24)21-17-9-7-6-8-16(17)18/h1,6-9H,10-14H2,2-4H3
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0.450n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane


J Med Chem 48: 3564-75 (2005)


Article DOI: 10.1021/jm0493461
BindingDB Entry DOI: 10.7270/Q2HH6KTH
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50167005
PNG
(3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-c...)
Show SMILES CN(Cc1ccccc1)C(=O)c1c(C)c(nc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C24H28N4O/c1-18-22(24(29)27(3)17-19-9-5-4-6-10-19)20-11-7-8-12-21(20)25-23(18)28-15-13-26(2)14-16-28/h4-12H,13-17H2,1-3H3
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0.550n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane


J Med Chem 48: 3564-75 (2005)


Article DOI: 10.1021/jm0493461
BindingDB Entry DOI: 10.7270/Q2HH6KTH
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50167000
PNG
(2-(4-Methyl-piperazin-1-yl)-quinoline-4-carboxylic...)
Show SMILES CCCN(CCC)C(=O)c1cc(nc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C21H30N4O/c1-4-10-25(11-5-2)21(26)18-16-20(24-14-12-23(3)13-15-24)22-19-9-7-6-8-17(18)19/h6-9,16H,4-5,10-15H2,1-3H3
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0.680n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane


J Med Chem 48: 3564-75 (2005)


Article DOI: 10.1021/jm0493461
BindingDB Entry DOI: 10.7270/Q2HH6KTH
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50166981
PNG
(3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-c...)
Show SMILES CCCCN(CCCC)C(=O)c1c(C)c(nc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C24H36N4O/c1-5-7-13-28(14-8-6-2)24(29)22-19(3)23(27-17-15-26(4)16-18-27)25-21-12-10-9-11-20(21)22/h9-12H,5-8,13-18H2,1-4H3
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0.780n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane


J Med Chem 48: 3564-75 (2005)


Article DOI: 10.1021/jm0493461
BindingDB Entry DOI: 10.7270/Q2HH6KTH
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50166985
PNG
(3-Ethyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-ca...)
Show SMILES CCCN(CCC)C(=O)c1c(CC)c(nc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C23H34N4O/c1-5-12-27(13-6-2)23(28)21-18(7-3)22(26-16-14-25(4)15-17-26)24-20-11-9-8-10-19(20)21/h8-11H,5-7,12-17H2,1-4H3
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1.10n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane


J Med Chem 48: 3564-75 (2005)


Article DOI: 10.1021/jm0493461
BindingDB Entry DOI: 10.7270/Q2HH6KTH
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50166989
PNG
(2-(4-Methyl-piperazin-1-yl)-3-propyl-quinoline-4-c...)
Show SMILES CCCN(CCC)C(=O)c1c(CCC)c(nc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C24H36N4O/c1-5-10-20-22(24(29)28(13-6-2)14-7-3)19-11-8-9-12-21(19)25-23(20)27-17-15-26(4)16-18-27/h8-9,11-12H,5-7,10,13-18H2,1-4H3
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1.20n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane


J Med Chem 48: 3564-75 (2005)


Article DOI: 10.1021/jm0493461
BindingDB Entry DOI: 10.7270/Q2HH6KTH
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50166998
PNG
(2-(4-Methyl-piperazin-1-yl)-quinoline-4-carboxylic...)
Show SMILES CCN(CC)C(=O)c1cc(nc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C19H26N4O/c1-4-22(5-2)19(24)16-14-18(23-12-10-21(3)11-13-23)20-17-9-7-6-8-15(16)17/h6-9,14H,4-5,10-13H2,1-3H3
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1.60n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane


J Med Chem 48: 3564-75 (2005)


Article DOI: 10.1021/jm0493461
BindingDB Entry DOI: 10.7270/Q2HH6KTH
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50166990
PNG
(3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-c...)
Show SMILES CC(C)N(C(C)C)C(=O)c1c(C)c(nc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C22H32N4O/c1-15(2)26(16(3)4)22(27)20-17(5)21(25-13-11-24(6)12-14-25)23-19-10-8-7-9-18(19)20/h7-10,15-16H,11-14H2,1-6H3
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2.20n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane


J Med Chem 48: 3564-75 (2005)


Article DOI: 10.1021/jm0493461
BindingDB Entry DOI: 10.7270/Q2HH6KTH
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50166986
PNG
(4-(4-Methyl-piperazin-1-yl)-2-propyl-2,3-dihydro-p...)
Show SMILES CCCN1Cc2c(C1=O)c1ccccc1nc2N1CCN(C)CC1
Show InChI InChI=1S/C19H24N4O/c1-3-8-23-13-15-17(19(23)24)14-6-4-5-7-16(14)20-18(15)22-11-9-21(2)10-12-22/h4-7H,3,8-13H2,1-2H3
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3.60n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane


J Med Chem 48: 3564-75 (2005)


Article DOI: 10.1021/jm0493461
BindingDB Entry DOI: 10.7270/Q2HH6KTH
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50166983
PNG
(2-sec-Butyl-4-(4-methyl-piperazin-1-yl)-2,3-dihydr...)
Show SMILES CCC(C)N1Cc2c(C1=O)c1ccccc1nc2N1CCN(C)CC1
Show InChI InChI=1S/C20H26N4O/c1-4-14(2)24-13-16-18(20(24)25)15-7-5-6-8-17(15)21-19(16)23-11-9-22(3)10-12-23/h5-8,14H,4,9-13H2,1-3H3
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4.20n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane


J Med Chem 48: 3564-75 (2005)


Article DOI: 10.1021/jm0493461
BindingDB Entry DOI: 10.7270/Q2HH6KTH
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50166999
PNG
(3-Ethyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-ca...)
Show SMILES CCc1c(nc2ccccc2c1C(=O)N(C)Cc1ccccc1)N1CCN(C)CC1
Show InChI InChI=1S/C25H30N4O/c1-4-20-23(25(30)28(3)18-19-10-6-5-7-11-19)21-12-8-9-13-22(21)26-24(20)29-16-14-27(2)15-17-29/h5-13H,4,14-18H2,1-3H3
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10n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane


J Med Chem 48: 3564-75 (2005)


Article DOI: 10.1021/jm0493461
BindingDB Entry DOI: 10.7270/Q2HH6KTH
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50167008
PNG
(3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-c...)
Show SMILES CN(C(=O)c1c(C)c(nc2ccccc12)N1CCN(C)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H25ClN4O/c1-16-21(23(29)27(3)18-10-8-17(24)9-11-18)19-6-4-5-7-20(19)25-22(16)28-14-12-26(2)13-15-28/h4-11H,12-15H2,1-3H3
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13n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane


J Med Chem 48: 3564-75 (2005)


Article DOI: 10.1021/jm0493461
BindingDB Entry DOI: 10.7270/Q2HH6KTH
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50166988
PNG
(2-(4-Methyl-piperazin-1-yl)-3-propyl-quinoline-4-c...)
Show SMILES CCCc1c(nc2ccccc2c1C(=O)N(C)Cc1ccccc1)N1CCN(C)CC1
Show InChI InChI=1S/C26H32N4O/c1-4-10-22-24(26(31)29(3)19-20-11-6-5-7-12-20)21-13-8-9-14-23(21)27-25(22)30-17-15-28(2)16-18-30/h5-9,11-14H,4,10,15-19H2,1-3H3
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14n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane


J Med Chem 48: 3564-75 (2005)


Article DOI: 10.1021/jm0493461
BindingDB Entry DOI: 10.7270/Q2HH6KTH
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50166992
PNG
(3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-c...)
Show SMILES CCCCCN(CCCCC)C(=O)c1c(C)c(nc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C26H40N4O/c1-5-7-11-15-30(16-12-8-6-2)26(31)24-21(3)25(29-19-17-28(4)18-20-29)27-23-14-10-9-13-22(23)24/h9-10,13-14H,5-8,11-12,15-20H2,1-4H3
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19n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane


J Med Chem 48: 3564-75 (2005)


Article DOI: 10.1021/jm0493461
BindingDB Entry DOI: 10.7270/Q2HH6KTH
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50167006
PNG
(3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-c...)
Show SMILES CCCCCCN(CCCCCC)C(=O)c1c(C)c(nc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C28H44N4O/c1-5-7-9-13-17-32(18-14-10-8-6-2)28(33)26-23(3)27(31-21-19-30(4)20-22-31)29-25-16-12-11-15-24(25)26/h11-12,15-16H,5-10,13-14,17-22H2,1-4H3
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188n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane


J Med Chem 48: 3564-75 (2005)


Article DOI: 10.1021/jm0493461
BindingDB Entry DOI: 10.7270/Q2HH6KTH
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50167005
PNG
(3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-c...)
Show SMILES CN(Cc1ccccc1)C(=O)c1c(C)c(nc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C24H28N4O/c1-18-22(24(29)27(3)17-19-9-5-4-6-10-19)20-11-7-8-12-21(20)25-23(18)28-15-13-26(2)14-16-28/h4-12H,13-17H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibitory concentration against butyrylcholinesterase


J Med Chem 48: 3564-75 (2005)


Article DOI: 10.1021/jm0493461
BindingDB Entry DOI: 10.7270/Q2HH6KTH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50167005
PNG
(3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-c...)
Show SMILES CN(Cc1ccccc1)C(=O)c1c(C)c(nc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C24H28N4O/c1-18-22(24(29)27(3)17-19-9-5-4-6-10-19)20-11-7-8-12-21(20)25-23(18)28-15-13-26(2)14-16-28/h4-12H,13-17H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibitory concentration against human acetylcholinesterase


J Med Chem 48: 3564-75 (2005)


Article DOI: 10.1021/jm0493461
BindingDB Entry DOI: 10.7270/Q2HH6KTH
More data for this
Ligand-Target Pair