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PubMed code 24900351

Compile data set for download or QSAR
Found 19 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 3A


(RAT)		BDBM50379007
PNG
(CHEMBL2011470)
Show SMILES CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCCCCCCNC(=O)c2c(C)c(nc3ccccc23)N2CCN(C)CC2)c1C
Show InChI InChI=1S/C39H52N8O2/c1-28-34(30-14-8-10-16-32(30)42-36(28)46-24-20-44(3)21-25-46)38(48)40-18-12-6-5-7-13-19-41-39(49)35-29(2)37(47-26-22-45(4)23-27-47)43-33-17-11-9-15-31(33)35/h8-11,14-17H,5-7,12-13,18-27H2,1-4H3,(H,40,48)(H,41,49)
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 2.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5HT3 receptor in Wistar rat cortical membranes by liquid scintillation spectrometery

ACS Med Chem Lett 2: 571-576 (2011)


Article DOI: 10.1021/ml2000388
BindingDB Entry DOI: 10.7270/Q2CZ385C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(RAT)		BDBM50166984
PNG
(3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-c...)
Show SMILES CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCCCCCCNc2c3CCCCc3nc3ccccc23)c1C
Show InChI InChI=1S/C36H46N6O/c1-26-33(27-14-6-9-17-30(27)40-35(26)42-24-22-41(2)23-25-42)36(43)38-21-13-5-3-4-12-20-37-34-28-15-7-10-18-31(28)39-32-19-11-8-16-29(32)34/h6-7,9-10,14-15,17-18H,3-5,8,11-13,16,19-25H2,1-2H3,(H,37,39)(H,38,43)
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 5.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5HT3 receptor in Wistar rat cortical membranes by liquid scintillation spectrometery

ACS Med Chem Lett 2: 571-576 (2011)


Article DOI: 10.1021/ml2000388
BindingDB Entry DOI: 10.7270/Q2CZ385C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(RAT)		BDBM50379005
PNG
(CHEMBL2011586)
Show SMILES CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCOCCOCCNC(=O)c2c(C)c(nc3ccccc23)N2CCN(C)CC2)c1C
Show InChI InChI=1S/C38H50N8O4/c1-27-33(29-9-5-7-11-31(29)41-35(27)45-19-15-43(3)16-20-45)37(47)39-13-23-49-25-26-50-24-14-40-38(48)34-28(2)36(46-21-17-44(4)18-22-46)42-32-12-8-6-10-30(32)34/h5-12H,13-26H2,1-4H3,(H,39,47)(H,40,48)
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 7.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5HT3 receptor in Wistar rat cortical membranes by liquid scintillation spectrometery

ACS Med Chem Lett 2: 571-576 (2011)


Article DOI: 10.1021/ml2000388
BindingDB Entry DOI: 10.7270/Q2CZ385C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(RAT)		BDBM50379010
PNG
(CHEMBL2011588)
Show SMILES CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c2c(C)c(nc3ccccc23)N2CCN(C)CC2)c1C
Show InChI InChI=1S/C52H78N8O11/c1-41-47(43-9-5-7-11-45(43)55-49(41)59-19-15-57(3)16-20-59)51(61)53-13-23-63-25-27-65-29-31-67-33-35-69-37-39-71-40-38-70-36-34-68-32-30-66-28-26-64-24-14-54-52(62)48-42(2)50(60-21-17-58(4)18-22-60)56-46-12-8-6-10-44(46)48/h5-12H,13-40H2,1-4H3,(H,53,61)(H,54,62)
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 15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5HT3 receptor in Wistar rat cortical membranes by liquid scintillation spectrometery

ACS Med Chem Lett 2: 571-576 (2011)


Article DOI: 10.1021/ml2000388
BindingDB Entry DOI: 10.7270/Q2CZ385C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(RAT)		BDBM50379018
PNG
(CHEMBL2011596)
Show SMILES CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCCCCCCNC(=O)OC(C)(C)C)c1C
Show InChI InChI=1S/C28H43N5O3/c1-21-24(22-13-9-10-14-23(22)31-25(21)33-19-17-32(5)18-20-33)26(34)29-15-11-7-6-8-12-16-30-27(35)36-28(2,3)4/h9-10,13-14H,6-8,11-12,15-20H2,1-5H3,(H,29,34)(H,30,35)
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 18n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5HT3 receptor in Wistar rat cortical membranes by liquid scintillation spectrometery

ACS Med Chem Lett 2: 571-576 (2011)


Article DOI: 10.1021/ml2000388
BindingDB Entry DOI: 10.7270/Q2CZ385C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(RAT)		BDBM50379013
PNG
(CHEMBL2011591)
Show SMILES CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCCCCCCNC(=O)NCC(O)=O)c1C
Show InChI InChI=1S/C26H38N6O4/c1-19-23(20-10-6-7-11-21(20)30-24(19)32-16-14-31(2)15-17-32)25(35)27-12-8-4-3-5-9-13-28-26(36)29-18-22(33)34/h6-7,10-11H,3-5,8-9,12-18H2,1-2H3,(H,27,35)(H,33,34)(H2,28,29,36)
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 26n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5HT3 receptor in Wistar rat cortical membranes by liquid scintillation spectrometery

ACS Med Chem Lett 2: 571-576 (2011)


Article DOI: 10.1021/ml2000388
BindingDB Entry DOI: 10.7270/Q2CZ385C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(RAT)		BDBM50379009
PNG
(CHEMBL2011587)
Show SMILES CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c2c(C)c(nc3ccccc23)N2CCN(C)CC2)c1C
Show InChI InChI=1S/C48H70N8O9/c1-37-43(39-9-5-7-11-41(39)51-45(37)55-19-15-53(3)16-20-55)47(57)49-13-23-59-25-27-61-29-31-63-33-35-65-36-34-64-32-30-62-28-26-60-24-14-50-48(58)44-38(2)46(56-21-17-54(4)18-22-56)52-42-12-8-6-10-40(42)44/h5-12H,13-36H2,1-4H3,(H,49,57)(H,50,58)
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 27n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5HT3 receptor in Wistar rat cortical membranes by liquid scintillation spectrometery

ACS Med Chem Lett 2: 571-576 (2011)


Article DOI: 10.1021/ml2000388
BindingDB Entry DOI: 10.7270/Q2CZ385C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(RAT)		BDBM50379006
PNG
(CHEMBL2011469)
Show SMILES CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCCCCCNC(=O)c2c(C)c(nc3ccccc23)N2CCN(C)CC2)c1C
Show InChI InChI=1S/C38H50N8O2/c1-27-33(29-13-7-9-15-31(29)41-35(27)45-23-19-43(3)20-24-45)37(47)39-17-11-5-6-12-18-40-38(48)34-28(2)36(46-25-21-44(4)22-26-46)42-32-16-10-8-14-30(32)34/h7-10,13-16H,5-6,11-12,17-26H2,1-4H3,(H,39,47)(H,40,48)
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 28n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5HT3 receptor in Wistar rat cortical membranes by liquid scintillation spectrometery

ACS Med Chem Lett 2: 571-576 (2011)


Article DOI: 10.1021/ml2000388
BindingDB Entry DOI: 10.7270/Q2CZ385C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(RAT)		BDBM50379008
PNG
(CHEMBL2011471)
Show SMILES CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCCCCCCCNC(=O)c2c(C)c(nc3ccccc23)N2CCN(C)CC2)c1C
Show InChI InChI=1S/C40H54N8O2/c1-29-35(31-15-9-11-17-33(31)43-37(29)47-25-21-45(3)22-26-47)39(49)41-19-13-7-5-6-8-14-20-42-40(50)36-30(2)38(48-27-23-46(4)24-28-48)44-34-18-12-10-16-32(34)36/h9-12,15-18H,5-8,13-14,19-28H2,1-4H3,(H,41,49)(H,42,50)
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 67n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5HT3 receptor in Wistar rat cortical membranes by liquid scintillation spectrometery

ACS Med Chem Lett 2: 571-576 (2011)


Article DOI: 10.1021/ml2000388
BindingDB Entry DOI: 10.7270/Q2CZ385C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(RAT)		BDBM50379012
PNG
(CHEMBL2011590)
Show SMILES CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCCCCCCCNc2c3CCCCc3nc3ccccc23)c1C
Show InChI InChI=1S/C37H48N6O/c1-27-34(28-15-7-10-18-31(28)41-36(27)43-25-23-42(2)24-26-43)37(44)39-22-14-6-4-3-5-13-21-38-35-29-16-8-11-19-32(29)40-33-20-12-9-17-30(33)35/h7-8,10-11,15-16,18-19H,3-6,9,12-14,17,20-26H2,1-2H3,(H,38,40)(H,39,44)
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 69n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5HT3 receptor in Wistar rat cortical membranes by liquid scintillation spectrometery

ACS Med Chem Lett 2: 571-576 (2011)


Article DOI: 10.1021/ml2000388
BindingDB Entry DOI: 10.7270/Q2CZ385C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(RAT)		BDBM50379022
PNG
(CHEMBL2011600)
Show SMILES CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OC(C)(C)C)c1C
Show InChI InChI=1S/C41H69N5O12/c1-34-37(35-8-6-7-9-36(35)44-38(34)46-14-12-45(5)13-15-46)39(47)42-10-16-49-18-20-51-22-24-53-26-28-55-30-32-57-33-31-56-29-27-54-25-23-52-21-19-50-17-11-43-40(48)58-41(2,3)4/h6-9H,10-33H2,1-5H3,(H,42,47)(H,43,48)
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 71n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5HT3 receptor in Wistar rat cortical membranes by liquid scintillation spectrometery

ACS Med Chem Lett 2: 571-576 (2011)


Article DOI: 10.1021/ml2000388
BindingDB Entry DOI: 10.7270/Q2CZ385C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(RAT)		BDBM50379011
PNG
(CHEMBL2011589)
Show SMILES CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCCCCCNc2c3CCCCc3nc3ccccc23)c1C
Show InChI InChI=1S/C35H44N6O/c1-25-32(26-13-5-8-16-29(26)39-34(25)41-23-21-40(2)22-24-41)35(42)37-20-12-4-3-11-19-36-33-27-14-6-9-17-30(27)38-31-18-10-7-15-28(31)33/h5-6,8-9,13-14,16-17H,3-4,7,10-12,15,18-24H2,1-2H3,(H,36,38)(H,37,42)
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 71n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5HT3 receptor in Wistar rat cortical membranes by liquid scintillation spectrometery

ACS Med Chem Lett 2: 571-576 (2011)


Article DOI: 10.1021/ml2000388
BindingDB Entry DOI: 10.7270/Q2CZ385C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(RAT)		BDBM50379021
PNG
(CHEMBL2011599)
Show SMILES CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OC(C)(C)C)c1C
Show InChI InChI=1S/C37H61N5O10/c1-30-33(31-8-6-7-9-32(31)40-34(30)42-14-12-41(5)13-15-42)35(43)38-10-16-45-18-20-47-22-24-49-26-28-51-29-27-50-25-23-48-21-19-46-17-11-39-36(44)52-37(2,3)4/h6-9H,10-29H2,1-5H3,(H,38,43)(H,39,44)
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 89n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5HT3 receptor in Wistar rat cortical membranes by liquid scintillation spectrometery

ACS Med Chem Lett 2: 571-576 (2011)


Article DOI: 10.1021/ml2000388
BindingDB Entry DOI: 10.7270/Q2CZ385C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(RAT)		BDBM50379015
PNG
(CHEMBL2011593)
Show SMILES CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)NCC(O)=O)c1C
Show InChI InChI=1S/C35H56N6O11/c1-28-32(29-5-3-4-6-30(29)39-33(28)41-11-9-40(2)10-12-41)34(44)36-7-13-46-15-17-48-19-21-50-23-25-52-26-24-51-22-20-49-18-16-47-14-8-37-35(45)38-27-31(42)43/h3-6H,7-27H2,1-2H3,(H,36,44)(H,42,43)(H2,37,38,45)
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 106n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5HT3 receptor in Wistar rat cortical membranes by liquid scintillation spectrometery

ACS Med Chem Lett 2: 571-576 (2011)


Article DOI: 10.1021/ml2000388
BindingDB Entry DOI: 10.7270/Q2CZ385C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(RAT)		BDBM50379019
PNG
(CHEMBL2011597)
Show SMILES CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCCCCCCCNC(=O)OC(C)(C)C)c1C
Show InChI InChI=1S/C29H45N5O3/c1-22-25(23-14-10-11-15-24(23)32-26(22)34-20-18-33(5)19-21-34)27(35)30-16-12-8-6-7-9-13-17-31-28(36)37-29(2,3)4/h10-11,14-15H,6-9,12-13,16-21H2,1-5H3,(H,30,35)(H,31,36)
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 127n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5HT3 receptor in Wistar rat cortical membranes by liquid scintillation spectrometery

ACS Med Chem Lett 2: 571-576 (2011)


Article DOI: 10.1021/ml2000388
BindingDB Entry DOI: 10.7270/Q2CZ385C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(RAT)		BDBM50379020
PNG
(CHEMBL2011598)
Show SMILES CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCOCCOCCNC(=O)OC(C)(C)C)c1C
Show InChI InChI=1S/C27H41N5O5/c1-20-23(21-8-6-7-9-22(21)30-24(20)32-14-12-31(5)13-15-32)25(33)28-10-16-35-18-19-36-17-11-29-26(34)37-27(2,3)4/h6-9H,10-19H2,1-5H3,(H,28,33)(H,29,34)
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 132n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5HT3 receptor in Wistar rat cortical membranes by liquid scintillation spectrometery

ACS Med Chem Lett 2: 571-576 (2011)


Article DOI: 10.1021/ml2000388
BindingDB Entry DOI: 10.7270/Q2CZ385C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(RAT)		BDBM50379014
PNG
(CHEMBL2011592)
Show SMILES CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCOCCOCCNC(=O)NCC(O)=O)c1C
Show InChI InChI=1S/C25H36N6O6/c1-18-22(19-5-3-4-6-20(19)29-23(18)31-11-9-30(2)10-12-31)24(34)26-7-13-36-15-16-37-14-8-27-25(35)28-17-21(32)33/h3-6H,7-17H2,1-2H3,(H,26,34)(H,32,33)(H2,27,28,35)
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 141n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5HT3 receptor in Wistar rat cortical membranes by liquid scintillation spectrometery

ACS Med Chem Lett 2: 571-576 (2011)


Article DOI: 10.1021/ml2000388
BindingDB Entry DOI: 10.7270/Q2CZ385C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(RAT)		BDBM50379016
PNG
(CHEMBL2011594)
Show SMILES CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)NCC(O)=O)c1C
Show InChI InChI=1S/C39H64N6O13/c1-32-36(33-5-3-4-6-34(33)43-37(32)45-11-9-44(2)10-12-45)38(48)40-7-13-50-15-17-52-19-21-54-23-25-56-27-29-58-30-28-57-26-24-55-22-20-53-18-16-51-14-8-41-39(49)42-31-35(46)47/h3-6H,7-31H2,1-2H3,(H,40,48)(H,46,47)(H2,41,42,49)
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 154n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5HT3 receptor in Wistar rat cortical membranes by liquid scintillation spectrometery

ACS Med Chem Lett 2: 571-576 (2011)


Article DOI: 10.1021/ml2000388
BindingDB Entry DOI: 10.7270/Q2CZ385C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(RAT)		BDBM50379017
PNG
(CHEMBL2011595)
Show SMILES CN1CCN(CC1)c1nc2ccccc2c(C(=O)NCCCCCCNC(=O)OC(C)(C)C)c1C
Show InChI InChI=1S/C27H41N5O3/c1-20-23(25(33)28-14-10-6-7-11-15-29-26(34)35-27(2,3)4)21-12-8-9-13-22(21)30-24(20)32-18-16-31(5)17-19-32/h8-9,12-13H,6-7,10-11,14-19H2,1-5H3,(H,28,33)(H,29,34)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 178n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5HT3 receptor in Wistar rat cortical membranes by liquid scintillation spectrometery

ACS Med Chem Lett 2: 571-576 (2011)


Article DOI: 10.1021/ml2000388
BindingDB Entry DOI: 10.7270/Q2CZ385C
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%