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Compile Data Set for Download or QSAR

Found 66 hits of kd data for polymerid = 49000072,49000077,5103,5137   
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
Serotonin (5-HT) receptor


(RAT)
BDBM50288285
PNG
(CHEMBL90314 | N-(S)-1-Aza-bicyclo[2.2.2]oct-3-yl-5...)
Show SMILES COc1c(I)cc(Cl)cc1C(=O)N[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C15H18ClIN2O2/c1-21-14-11(6-10(16)7-12(14)17)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8H2,1H3,(H,18,20)/t13-/m1/s1
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n/an/an/a 0.150n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its antagonistic activity against 5-hydroxytryptamine 3 receptor


Bioorg Med Chem Lett 6: 2657-2662 (1996)


Article DOI: 10.1016/S0960-894X(96)00497-0
BindingDB Entry DOI: 10.7270/Q20V8CRP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50417287
PNG
(Aloxi | Aurothioglucose | PALONOSETRON | PALONOSET...)
Show SMILES O=C1N(C[C@H]2CCCc3cccc1c23)[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C19H24N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h2,4,6,13,15,17H,1,3,5,7-12H2/t15-,17-/m1/s1
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n/an/an/a 0.320n/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Binding affinity to human wild type 5-HT3A receptor expressed in HEK293 cells after 24 hrs by liquid scintillation counting analysis


Bioorg Med Chem 21: 7523-8 (2013)


Article DOI: 10.1016/j.bmc.2013.09.028
BindingDB Entry DOI: 10.7270/Q2JM2C3F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50443668
PNG
(CHEBI:5537 | CHEMBL1290003 | GRANISETRON)
Show SMILES CN1[C@H]2CCC[C@@H]1C[C@@H](C2)NC(=O)c1nn(C)c2ccccc12
Show InChI InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t12-,13+,14-
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n/an/an/a 0.530n/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Binding affinity to human wild type 5-HT3A receptor expressed in HEK293 cells after 24 hrs by liquid scintillation counting analysis


Bioorg Med Chem 21: 7523-8 (2013)


Article DOI: 10.1016/j.bmc.2013.09.028
BindingDB Entry DOI: 10.7270/Q2JM2C3F
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50000492
PNG
((zacopride)4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2
Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)
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n/an/an/a 0.600n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its antagonistic activity against 5-hydroxytryptamine 3 receptor in rat brain using [3H]-zacopride as the radioligand.


Bioorg Med Chem Lett 6: 2657-2662 (1996)


Article DOI: 10.1016/S0960-894X(96)00497-0
BindingDB Entry DOI: 10.7270/Q20V8CRP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50288284
PNG
(4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl)-5-iodo-2-...)
Show SMILES COc1cc(N)c(I)cc1C(=O)NC1CN2CCC1CC2
Show InChI InChI=1S/C15H20IN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)
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n/an/an/a 2.60n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity towards 5-HT-3 receptor in whole rat brain using (S)-[125I]-zacopride as the radioligand.


Bioorg Med Chem Lett 6: 2657-2662 (1996)


Article DOI: 10.1016/S0960-894X(96)00497-0
BindingDB Entry DOI: 10.7270/Q20V8CRP
More data for this
Ligand-Target Pair
HTR3A


(GUINEA PIG)
BDBM50417865
PNG
(CHEMBL1668031)
Show SMILES CCOc1nc2ccccc2nc1C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C16H20N4O2/c1-3-22-15-14(16(21)20-10-8-19(2)9-11-20)17-12-6-4-5-7-13(12)18-15/h4-7H,3,8-11H2,1-2H3
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n/an/an/a 19.9n/an/an/an/an/a



Birla Institute of Technology& Science

Curated by ChEMBL


Assay Description
Antagonist activity at 5-HT3 receptor in guinea pig ileum muscle


Bioorg Med Chem Lett 21: 1253-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.064
BindingDB Entry DOI: 10.7270/Q28W3FJR
More data for this
Ligand-Target Pair
HTR3A


(GUINEA PIG)
BDBM50417141
PNG
(CHEMBL1269981)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cnc2ccccc2n1
Show InChI InChI=1S/C16H12ClN3O/c1-10-11(17)5-4-8-12(10)20-16(21)15-9-18-13-6-2-3-7-14(13)19-15/h2-9H,1H3,(H,20,21)
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n/an/an/a 25.1n/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT3 receptor in guinea pig ileum longitudinal muscle myenteric plexus assessed as inhibition of 2-methyl-5-HT-induced contrac...


Bioorg Med Chem Lett 20: 6773-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.128
BindingDB Entry DOI: 10.7270/Q2WS8VHQ
More data for this
Ligand-Target Pair
HTR3A


(GUINEA PIG)
BDBM50108392
PNG
((3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-I...)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+
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n/an/an/a 30n/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: 3548-62 (2009)


Article DOI: 10.1021/jm900018b
BindingDB Entry DOI: 10.7270/Q2M908K7
More data for this
Ligand-Target Pair
HTR3A


(GUINEA PIG)
BDBM50417864
PNG
(CHEMBL1668032)
Show SMILES CCOc1nc2ccccc2nc1C(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C17H22N4O2/c1-3-20-9-11-21(12-10-20)17(22)15-16(23-4-2)19-14-8-6-5-7-13(14)18-15/h5-8H,3-4,9-12H2,1-2H3
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n/an/an/a 31.6n/an/an/an/an/a



Birla Institute of Technology& Science

Curated by ChEMBL


Assay Description
Antagonist activity at 5-HT3 receptor in guinea pig ileum muscle


Bioorg Med Chem Lett 21: 1253-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.064
BindingDB Entry DOI: 10.7270/Q28W3FJR
More data for this
Ligand-Target Pair
HTR3A


(GUINEA PIG)
BDBM50417145
PNG
(CHEMBL1269087)
Show SMILES CCCCNC(=O)c1cnc2ccccc2n1
Show InChI InChI=1S/C13H15N3O/c1-2-3-8-14-13(17)12-9-15-10-6-4-5-7-11(10)16-12/h4-7,9H,2-3,8H2,1H3,(H,14,17)
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n/an/an/a 50.1n/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT3 receptor in guinea pig ileum longitudinal muscle myenteric plexus assessed as inhibition of 2-methyl-5-HT-induced contrac...


Bioorg Med Chem Lett 20: 6773-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.128
BindingDB Entry DOI: 10.7270/Q2WS8VHQ
More data for this
Ligand-Target Pair
HTR3A


(GUINEA PIG)
BDBM50417873
PNG
(CHEMBL1668036)
Show SMILES CCOc1nc2ccccc2nc1C(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C21H20N4O2/c1-2-27-21-19(24-17-9-5-6-10-18(17)25-21)20(26)22-12-11-14-13-23-16-8-4-3-7-15(14)16/h3-10,13,23H,2,11-12H2,1H3,(H,22,26)
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n/an/an/a 63.1n/an/an/an/an/a



Birla Institute of Technology& Science

Curated by ChEMBL


Assay Description
Antagonist activity at 5-HT3 receptor in guinea pig ileum muscle


Bioorg Med Chem Lett 21: 1253-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.064
BindingDB Entry DOI: 10.7270/Q28W3FJR
More data for this
Ligand-Target Pair
HTR3A


(GUINEA PIG)
BDBM50060685
PNG
(9-Fluoro-4-(4-methyl-piperazin-1-yl)-pyrrolo[1,2-a...)
Show SMILES CN1CCN(CC1)c1nc2cccc(F)c2n2cccc12
Show InChI InChI=1S/C16H17FN4/c1-19-8-10-20(11-9-19)16-14-6-3-7-21(14)15-12(17)4-2-5-13(15)18-16/h2-7H,8-11H2,1H3
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n/an/an/a 64.6n/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
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50426730
PNG
(CHEMBL2322133)
Show SMILES CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCCCCNC(=O)CCn3cc(CCN)c4cc(O)ccc34)c3ccc(cc3oc2c1)=[N+](C)C
Show InChI InChI=1S/C43H48N6O6/c1-47(2)29-9-13-33-38(23-29)55-39-24-30(48(3)4)10-14-34(39)41(33)32-12-8-27(22-36(32)43(53)54)42(52)46-20-7-5-6-19-45-40(51)17-21-49-26-28(16-18-44)35-25-31(50)11-15-37(35)49/h8-15,22-26H,5-7,16-21,44H2,1-4H3,(H3-,45,46,50,51,52,53,54)
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n/an/an/a 83n/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Binding affinity to C-terminal-His6-tagged 5HT3A receptor (unknown origin) expressed in HEK293 cells after 2 hrs by fluorimetric analysis


Bioorg Med Chem Lett 23: 773-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.082
BindingDB Entry DOI: 10.7270/Q2JD4Z35
More data for this
Ligand-Target Pair
HTR3A


(GUINEA PIG)
BDBM50417871
PNG
(CHEMBL1668024)
Show SMILES CCOc1nc2ccccc2nc1C(=O)N1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C22H24N4O3/c1-3-29-21-20(23-16-8-4-5-9-17(16)24-21)22(27)26-14-12-25(13-15-26)18-10-6-7-11-19(18)28-2/h4-11H,3,12-15H2,1-2H3
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n/an/an/a 100n/an/an/an/an/a



Birla Institute of Technology& Science

Curated by ChEMBL


Assay Description
Antagonist activity at 5-HT3 receptor in guinea pig ileum muscle


Bioorg Med Chem Lett 21: 1253-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.064
BindingDB Entry DOI: 10.7270/Q28W3FJR
More data for this
Ligand-Target Pair
HTR3A


(GUINEA PIG)
BDBM85330
PNG
(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)
Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C
Show InChI InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3
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n/an/an/a 126n/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT3 receptor in guinea pig ileum longitudinal muscle myenteric plexus assessed as inhibition of 2-methyl-5-HT-induced contrac...


Bioorg Med Chem Lett 20: 6773-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.128
BindingDB Entry DOI: 10.7270/Q2WS8VHQ
More data for this
Ligand-Target Pair
HTR3A


(GUINEA PIG)
BDBM85330
PNG
(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)
Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C
Show InChI InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3
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n/an/an/a 126n/an/an/an/an/a



Birla Institute of Technology& Science

Curated by ChEMBL


Assay Description
Antagonist activity at 5-HT3 receptor in guinea pig ileum muscle


Bioorg Med Chem Lett 21: 1253-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.064
BindingDB Entry DOI: 10.7270/Q28W3FJR
More data for this
Ligand-Target Pair
HTR3A


(GUINEA PIG)
BDBM50417862
PNG
(CHEMBL1668034)
Show SMILES CCOc1nc2ccccc2nc1C(=O)NCCN(C)C
Show InChI InChI=1S/C15H20N4O2/c1-4-21-15-13(14(20)16-9-10-19(2)3)17-11-7-5-6-8-12(11)18-15/h5-8H,4,9-10H2,1-3H3,(H,16,20)
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n/an/an/a 126n/an/an/an/an/a



Birla Institute of Technology& Science

Curated by ChEMBL


Assay Description
Antagonist activity at 5-HT3 receptor in guinea pig ileum muscle


Bioorg Med Chem Lett 21: 1253-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.064
BindingDB Entry DOI: 10.7270/Q28W3FJR
More data for this
Ligand-Target Pair
HTR3A


(GUINEA PIG)
BDBM50417870
PNG
(CHEMBL1668025)
Show SMILES CCOc1nc2ccccc2nc1C(=O)N1CCN(CC1)c1ccc(OC)cc1
Show InChI InChI=1S/C22H24N4O3/c1-3-29-21-20(23-18-6-4-5-7-19(18)24-21)22(27)26-14-12-25(13-15-26)16-8-10-17(28-2)11-9-16/h4-11H,3,12-15H2,1-2H3
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n/an/an/a 158n/an/an/an/an/a



Birla Institute of Technology& Science

Curated by ChEMBL


Assay Description
Antagonist activity at 5-HT3 receptor in guinea pig ileum muscle


Bioorg Med Chem Lett 21: 1253-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.064
BindingDB Entry DOI: 10.7270/Q28W3FJR
More data for this
Ligand-Target Pair
HTR3A


(GUINEA PIG)
BDBM50417134
PNG
(CHEMBL1269779)
Show SMILES O=C(Nc1ccccc1)c1cnc2ccccc2n1
Show InChI InChI=1S/C15H11N3O/c19-15(17-11-6-2-1-3-7-11)14-10-16-12-8-4-5-9-13(12)18-14/h1-10H,(H,17,19)
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n/an/an/a 158n/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT3 receptor in guinea pig ileum longitudinal muscle myenteric plexus assessed as inhibition of 2-methyl-5-HT-induced contrac...


Bioorg Med Chem Lett 20: 6773-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.128
BindingDB Entry DOI: 10.7270/Q2WS8VHQ
More data for this
Ligand-Target Pair
HTR3A


(GUINEA PIG)
BDBM50417863
PNG
(CHEMBL1668033)
Show SMILES CCOc1nc2ccccc2nc1C(=O)N1CCN(CC=C)CC1
Show InChI InChI=1S/C18H22N4O2/c1-3-9-21-10-12-22(13-11-21)18(23)16-17(24-4-2)20-15-8-6-5-7-14(15)19-16/h3,5-8H,1,4,9-13H2,2H3
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n/an/an/a 158n/an/an/an/an/a



Birla Institute of Technology& Science

Curated by ChEMBL


Assay Description
Antagonist activity at 5-HT3 receptor in guinea pig ileum muscle


Bioorg Med Chem Lett 21: 1253-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.064
BindingDB Entry DOI: 10.7270/Q28W3FJR
More data for this
Ligand-Target Pair
HTR3A


(GUINEA PIG)
BDBM50417144
PNG
(CHEMBL1269086)
Show SMILES CCCNC(=O)c1cnc2ccccc2n1
Show InChI InChI=1S/C12H13N3O/c1-2-7-13-12(16)11-8-14-9-5-3-4-6-10(9)15-11/h3-6,8H,2,7H2,1H3,(H,13,16)
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n/an/an/a 200n/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT3 receptor in guinea pig ileum longitudinal muscle myenteric plexus assessed as inhibition of 2-methyl-5-HT-induced contrac...


Bioorg Med Chem Lett 20: 6773-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.128
BindingDB Entry DOI: 10.7270/Q2WS8VHQ
More data for this
Ligand-Target Pair
HTR3A


(GUINEA PIG)
BDBM50417868
PNG
(CHEMBL1668027)
Show SMILES CCOc1nc2ccccc2nc1C(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C21H21ClN4O2/c1-2-28-20-19(23-17-8-3-4-9-18(17)24-20)21(27)26-12-10-25(11-13-26)16-7-5-6-15(22)14-16/h3-9,14H,2,10-13H2,1H3
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n/an/an/a 251n/an/an/an/an/a



Birla Institute of Technology& Science

Curated by ChEMBL


Assay Description
Antagonist activity at 5-HT3 receptor in guinea pig ileum muscle


Bioorg Med Chem Lett 21: 1253-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.064
BindingDB Entry DOI: 10.7270/Q28W3FJR
More data for this
Ligand-Target Pair
HTR3A


(GUINEA PIG)
BDBM50417147
PNG
(CHEMBL1269119)
Show SMILES O=C(NC1CCCC1)c1cnc2ccccc2n1
Show InChI InChI=1S/C14H15N3O/c18-14(16-10-5-1-2-6-10)13-9-15-11-7-3-4-8-12(11)17-13/h3-4,7-10H,1-2,5-6H2,(H,16,18)
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n/an/an/a 316n/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT3 receptor in guinea pig ileum longitudinal muscle myenteric plexus assessed as inhibition of 2-methyl-5-HT-induced contrac...


Bioorg Med Chem Lett 20: 6773-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.128
BindingDB Entry DOI: 10.7270/Q2WS8VHQ
More data for this
Ligand-Target Pair
HTR3A


(GUINEA PIG)
BDBM50417146
PNG
(CHEMBL1269088)
Show SMILES O=C(N1CCCC1)c1cnc2ccccc2n1
Show InChI InChI=1S/C13H13N3O/c17-13(16-7-3-4-8-16)12-9-14-10-5-1-2-6-11(10)15-12/h1-2,5-6,9H,3-4,7-8H2
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n/an/an/a 398n/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT3 receptor in guinea pig ileum longitudinal muscle myenteric plexus assessed as inhibition of 2-methyl-5-HT-induced contrac...


Bioorg Med Chem Lett 20: 6773-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.128
BindingDB Entry DOI: 10.7270/Q2WS8VHQ
More data for this
Ligand-Target Pair
HTR3A


(GUINEA PIG)
BDBM50417139
PNG
(CHEMBL1269875)
Show SMILES CC(=O)c1cccc(NC(=O)c2cnc3ccccc3n2)c1
Show InChI InChI=1S/C17H13N3O2/c1-11(21)12-5-4-6-13(9-12)19-17(22)16-10-18-14-7-2-3-8-15(14)20-16/h2-10H,1H3,(H,19,22)
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n/an/an/a 794n/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT3 receptor in guinea pig ileum longitudinal muscle myenteric plexus assessed as inhibition of 2-methyl-5-HT-induced contrac...


Bioorg Med Chem Lett 20: 6773-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.128
BindingDB Entry DOI: 10.7270/Q2WS8VHQ
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
HTR3A


(GUINEA PIG)
BDBM50417150
PNG
(CHEMBL1269120)
Show SMILES O=C(NC1CCCCC1)c1cnc2ccccc2n1
Show InChI InChI=1S/C15H17N3O/c19-15(17-11-6-2-1-3-7-11)14-10-16-12-8-4-5-9-13(12)18-14/h4-5,8-11H,1-3,6-7H2,(H,17,19)
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n/an/an/a 1.00E+3n/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT3 receptor in guinea pig ileum longitudinal muscle myenteric plexus assessed as inhibition of 2-methyl-5-HT-induced contrac...


Bioorg Med Chem Lett 20: 6773-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.128
BindingDB Entry DOI: 10.7270/Q2WS8VHQ
More data for this
Ligand-Target Pair
HTR3A


(GUINEA PIG)
BDBM50417869
PNG
(CHEMBL1668026)
Show SMILES CCOc1nc2ccccc2nc1C(=O)N1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H21ClN4O2/c1-2-28-20-19(23-17-5-3-4-6-18(17)24-20)21(27)26-13-11-25(12-14-26)16-9-7-15(22)8-10-16/h3-10H,2,11-14H2,1H3
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n/an/an/a 1.00E+3n/an/an/an/an/a



Birla Institute of Technology& Science

Curated by ChEMBL


Assay Description
Antagonist activity at 5-HT3 receptor in guinea pig ileum muscle


Bioorg Med Chem Lett 21: 1253-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.064
BindingDB Entry DOI: 10.7270/Q28W3FJR
More data for this
Ligand-Target Pair
HTR3A


(GUINEA PIG)
BDBM50417138
PNG
(CHEMBL1269049)
Show SMILES O=C(NNc1ccccc1)c1cnc2ccccc2n1
Show InChI InChI=1S/C15H12N4O/c20-15(19-18-11-6-2-1-3-7-11)14-10-16-12-8-4-5-9-13(12)17-14/h1-10,18H,(H,19,20)
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n/an/an/a 1.58E+3n/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT3 receptor in guinea pig ileum longitudinal muscle myenteric plexus assessed as inhibition of 2-methyl-5-HT-induced contrac...


Bioorg Med Chem Lett 20: 6773-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.128
BindingDB Entry DOI: 10.7270/Q2WS8VHQ
More data for this
Ligand-Target Pair
HTR3A


(GUINEA PIG)
BDBM50417148
PNG
(CHEMBL1269085)
Show SMILES Clc1cccc(NC(=O)c2cnc3ccccc3n2)c1
Show InChI InChI=1S/C15H10ClN3O/c16-10-4-3-5-11(8-10)18-15(20)14-9-17-12-6-1-2-7-13(12)19-14/h1-9H,(H,18,20)
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n/an/an/a 1.58E+3n/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT3 receptor in guinea pig ileum longitudinal muscle myenteric plexus assessed as inhibition of 2-methyl-5-HT-induced contrac...


Bioorg Med Chem Lett 20: 6773-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.128
BindingDB Entry DOI: 10.7270/Q2WS8VHQ
More data for this
Ligand-Target Pair
HTR3A


(GUINEA PIG)
BDBM50417137
PNG
(CHEMBL1269048)
Show SMILES O=C(NCc1ccccc1)c1cnc2ccccc2n1
Show InChI InChI=1S/C16H13N3O/c20-16(18-10-12-6-2-1-3-7-12)15-11-17-13-8-4-5-9-14(13)19-15/h1-9,11H,10H2,(H,18,20)
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n/an/an/a 2.00E+3n/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT3 receptor in guinea pig ileum longitudinal muscle myenteric plexus assessed as inhibition of 2-methyl-5-HT-induced contrac...


Bioorg Med Chem Lett 20: 6773-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.128
BindingDB Entry DOI: 10.7270/Q2WS8VHQ
More data for this
Ligand-Target Pair
HTR3A


(GUINEA PIG)
BDBM50410879
PNG
(CHEMBL207266)
Show SMILES COc1nc2ccccc2nc1C(=O)Nc1ccc(O)c(CN2CCN(C)CC2)c1
Show InChI InChI=1S/C22H25N5O3/c1-26-9-11-27(12-10-26)14-15-13-16(7-8-19(15)28)23-21(29)20-22(30-2)25-18-6-4-3-5-17(18)24-20/h3-8,13,28H,9-12,14H2,1-2H3,(H,23,29)
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n/an/an/a 2.00E+3n/an/an/an/an/a



Periyar College of Pharmaceutical Sciences for Girls

Curated by ChEMBL


Assay Description
Antagonist effect against 2-methyl-5-HT activity at 5-HT3 receptor in longitudinal muscle myenteric plexus from guinea pig ileum


Bioorg Med Chem Lett 16: 2769-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.006
BindingDB Entry DOI: 10.7270/Q2MW2JCG
More data for this
Ligand-Target Pair
HTR3A


(GUINEA PIG)
BDBM50417135
PNG
(CHEMBL1269047)
Show SMILES Cc1ccc(NC(=O)c2cnc3ccccc3n2)cc1
Show InChI InChI=1S/C16H13N3O/c1-11-6-8-12(9-7-11)18-16(20)15-10-17-13-4-2-3-5-14(13)19-15/h2-10H,1H3,(H,18,20)
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n/an/an/a 6.31E+3n/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT3 receptor in guinea pig ileum longitudinal muscle myenteric plexus assessed as inhibition of 2-methyl-5-HT-induced contrac...


Bioorg Med Chem Lett 20: 6773-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.128
BindingDB Entry DOI: 10.7270/Q2WS8VHQ
More data for this
Ligand-Target Pair
HTR3A


(GUINEA PIG)
BDBM50417867
PNG
(CHEMBL1668028)
Show SMILES CCOc1nc2ccccc2nc1C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H21F3N4O2/c1-2-31-20-19(26-17-8-3-4-9-18(17)27-20)21(30)29-12-10-28(11-13-29)16-7-5-6-15(14-16)22(23,24)25/h3-9,14H,2,10-13H2,1H3
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n/an/an/a 7.94E+3n/an/an/an/an/a



Birla Institute of Technology& Science

Curated by ChEMBL


Assay Description
Antagonist activity at 5-HT3 receptor in guinea pig ileum muscle


Bioorg Med Chem Lett 21: 1253-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.064
BindingDB Entry DOI: 10.7270/Q28W3FJR
More data for this
Ligand-Target Pair
HTR3A


(GUINEA PIG)
BDBM50417860
PNG
(CHEMBL1668037)
Show SMILES CCOc1nc2ccccc2nc1C(=O)Nc1ccc(cc1)N(CC)CC
Show InChI InChI=1S/C21H24N4O2/c1-4-25(5-2)16-13-11-15(12-14-16)22-20(26)19-21(27-6-3)24-18-10-8-7-9-17(18)23-19/h7-14H,4-6H2,1-3H3,(H,22,26)
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n/an/an/a 1.00E+4n/an/an/an/an/a



Birla Institute of Technology& Science

Curated by ChEMBL


Assay Description
Antagonist activity at 5-HT3 receptor in guinea pig ileum muscle


Bioorg Med Chem Lett 21: 1253-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.064
BindingDB Entry DOI: 10.7270/Q28W3FJR
More data for this
Ligand-Target Pair
HTR3A


(GUINEA PIG)
BDBM50417136
PNG
(CHEMBL1269874)
Show SMILES COc1ccc(NC(=O)c2cnc3ccccc3n2)cc1
Show InChI InChI=1S/C16H13N3O2/c1-21-12-8-6-11(7-9-12)18-16(20)15-10-17-13-4-2-3-5-14(13)19-15/h2-10H,1H3,(H,18,20)
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n/an/an/a 1.00E+4n/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT3 receptor in guinea pig ileum longitudinal muscle myenteric plexus assessed as inhibition of 2-methyl-5-HT-induced contrac...


Bioorg Med Chem Lett 20: 6773-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.128
BindingDB Entry DOI: 10.7270/Q2WS8VHQ
More data for this
Ligand-Target Pair
HTR3A


(GUINEA PIG)
BDBM50417140
PNG
(CHEMBL1269876)
Show SMILES [O-][N+](=O)c1cccc(NC(=O)c2cnc3ccccc3n2)c1
Show InChI InChI=1S/C15H10N4O3/c20-15(17-10-4-3-5-11(8-10)19(21)22)14-9-16-12-6-1-2-7-13(12)18-14/h1-9H,(H,17,20)
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n/an/an/a 1.00E+4n/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT3 receptor in guinea pig ileum longitudinal muscle myenteric plexus assessed as inhibition of 2-methyl-5-HT-induced contrac...


Bioorg Med Chem Lett 20: 6773-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.128
BindingDB Entry DOI: 10.7270/Q2WS8VHQ
More data for this
Ligand-Target Pair
HTR3A


(GUINEA PIG)
BDBM50417872
PNG
(CHEMBL1668023)
Show SMILES CCOc1nc2ccccc2nc1C(=O)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C21H22N4O2/c1-2-27-20-19(22-17-10-6-7-11-18(17)23-20)21(26)25-14-12-24(13-15-25)16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3
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n/an/an/a 1.00E+4n/an/an/an/an/a



Birla Institute of Technology& Science

Curated by ChEMBL


Assay Description
Antagonist activity at 5-HT3 receptor in guinea pig ileum muscle


Bioorg Med Chem Lett 21: 1253-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.064
BindingDB Entry DOI: 10.7270/Q28W3FJR
More data for this
Ligand-Target Pair
HTR3A


(GUINEA PIG)
BDBM50417143
PNG
(CHEMBL1269983)
Show SMILES O=C(Nc1ccc(NC(=O)c2cnc3ccccc3n2)cc1)c1ccccc1
Show InChI InChI=1S/C22H16N4O2/c27-21(15-6-2-1-3-7-15)24-16-10-12-17(13-11-16)25-22(28)20-14-23-18-8-4-5-9-19(18)26-20/h1-14H,(H,24,27)(H,25,28)
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n/an/an/a 1.26E+4n/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT3 receptor in guinea pig ileum longitudinal muscle myenteric plexus assessed as inhibition of 2-methyl-5-HT-induced contrac...


Bioorg Med Chem Lett 20: 6773-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.128
BindingDB Entry DOI: 10.7270/Q2WS8VHQ
More data for this
Ligand-Target Pair
HTR3A


(GUINEA PIG)
BDBM50410883
PNG
(CHEMBL379648)
Show SMILES CCN1CCN(Cc2cc(NC(=O)c3nc4ccccc4nc3OC)ccc2O)CC1
Show InChI InChI=1S/C23H27N5O3/c1-3-27-10-12-28(13-11-27)15-16-14-17(8-9-20(16)29)24-22(30)21-23(31-2)26-19-7-5-4-6-18(19)25-21/h4-9,14,29H,3,10-13,15H2,1-2H3,(H,24,30)
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n/an/an/a 1.26E+4n/an/an/an/an/a



Periyar College of Pharmaceutical Sciences for Girls

Curated by ChEMBL


Assay Description
Antagonist effect against 2-methyl-5-HT activity at 5-HT3 receptor in longitudinal muscle myenteric plexus from guinea pig ileum


Bioorg Med Chem Lett 16: 2769-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.006
BindingDB Entry DOI: 10.7270/Q2MW2JCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50248045
PNG
((S)-1-(2-fluorophenyl)ethyl (S)-quinuclidin-3-ylca...)
Show SMILES C[C@H](OC(=O)N[C@@H]1CN2CCC1CC2)c1ccccc1F
Show InChI InChI=1S/C16H21FN2O2/c1-11(13-4-2-3-5-14(13)17)21-16(20)18-15-10-19-8-6-12(15)7-9-19/h2-5,11-12,15H,6-10H2,1H3,(H,18,20)/t11-,15+/m0/s1
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n/an/an/a 1.30E+4n/an/an/an/an/a



Targacept, Inc

Curated by ChEMBL


Assay Description
Binding affinity to 5HT3 receptor


J Med Chem 54: 7943-61 (2011)


Article DOI: 10.1021/jm2007672
BindingDB Entry DOI: 10.7270/Q29P32QP
More data for this
Ligand-Target Pair
HTR3A


(GUINEA PIG)
BDBM50417859
PNG
(CHEMBL1668029)
Show SMILES CCOc1nc2ccccc2nc1C(=O)Nc1cccnc1
Show InChI InChI=1S/C16H14N4O2/c1-2-22-16-14(15(21)18-11-6-5-9-17-10-11)19-12-7-3-4-8-13(12)20-16/h3-10H,2H2,1H3,(H,18,21)
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n/an/an/a 1.58E+4n/an/an/an/an/a



Birla Institute of Technology& Science

Curated by ChEMBL


Assay Description
Antagonist activity at 5-HT3 receptor in guinea pig ileum muscle


Bioorg Med Chem Lett 21: 1253-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.064
BindingDB Entry DOI: 10.7270/Q28W3FJR
More data for this
Ligand-Target Pair
HTR3A


(GUINEA PIG)
BDBM50410893
PNG
(CHEMBL206999)
Show SMILES COc1nc2ccccc2nc1C(=O)Nc1cc(CN2CCN(C)CC2)c(O)c(c1)N1CCN(C)CC1
Show InChI InChI=1S/C27H35N7O3/c1-31-8-12-33(13-9-31)18-19-16-20(17-23(25(19)35)34-14-10-32(2)11-15-34)28-26(36)24-27(37-3)30-22-7-5-4-6-21(22)29-24/h4-7,16-17,35H,8-15,18H2,1-3H3,(H,28,36)
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n/an/an/a 1.58E+4n/an/an/an/an/a



Periyar College of Pharmaceutical Sciences for Girls

Curated by ChEMBL


Assay Description
Antagonist effect against 2-methyl-5-HT activity at 5-HT3 receptor in longitudinal muscle myenteric plexus from guinea pig ileum


Bioorg Med Chem Lett 16: 2769-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.006
BindingDB Entry DOI: 10.7270/Q2MW2JCG
More data for this
Ligand-Target Pair
HTR3A


(GUINEA PIG)
BDBM50417861
PNG
(CHEMBL1668035)
Show SMILES CCOc1nc2ccccc2nc1C(=O)NCCN(CC)CC
Show InChI InChI=1S/C17H24N4O2/c1-4-21(5-2)12-11-18-16(22)15-17(23-6-3)20-14-10-8-7-9-13(14)19-15/h7-10H,4-6,11-12H2,1-3H3,(H,18,22)
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n/an/an/a 2.00E+4n/an/an/an/an/a



Birla Institute of Technology& Science

Curated by ChEMBL


Assay Description
Antagonist activity at 5-HT3 receptor in guinea pig ileum muscle


Bioorg Med Chem Lett 21: 1253-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.064
BindingDB Entry DOI: 10.7270/Q28W3FJR
More data for this
Ligand-Target Pair
HTR3A


(GUINEA PIG)
BDBM50417866
PNG
(CHEMBL1668030)
Show SMILES CCOc1nc2ccccc2nc1C(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H24N4O2/c1-2-28-21-20(23-18-10-6-7-11-19(18)24-21)22(27)26-14-12-25(13-15-26)16-17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3
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n/an/an/a 2.51E+4n/an/an/an/an/a



Birla Institute of Technology& Science

Curated by ChEMBL


Assay Description
Antagonist activity at 5-HT3 receptor in guinea pig ileum muscle


Bioorg Med Chem Lett 21: 1253-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.064
BindingDB Entry DOI: 10.7270/Q28W3FJR
More data for this
Ligand-Target Pair
HTR3A


(GUINEA PIG)
BDBM50410884
PNG
(CHEMBL208521)
Show SMILES CCOc1nc2ccccc2nc1C(=O)Nc1ccc(O)c(CN2CCN(C)CC2)c1
Show InChI InChI=1S/C23H27N5O3/c1-3-31-23-21(25-18-6-4-5-7-19(18)26-23)22(30)24-17-8-9-20(29)16(14-17)15-28-12-10-27(2)11-13-28/h4-9,14,29H,3,10-13,15H2,1-2H3,(H,24,30)
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n/an/an/a 2.51E+4n/an/an/an/an/a



Periyar College of Pharmaceutical Sciences for Girls

Curated by ChEMBL


Assay Description
Antagonist effect against 2-methyl-5-HT activity at 5-HT3 receptor in longitudinal muscle myenteric plexus from guinea pig ileum


Bioorg Med Chem Lett 16: 2769-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.006
BindingDB Entry DOI: 10.7270/Q2MW2JCG
More data for this
Ligand-Target Pair
HTR3A


(GUINEA PIG)
BDBM50417142
PNG
(CHEMBL1269982)
Show SMILES O=C(Nc1nc2ccccc2s1)c1cnc2ccccc2n1
Show InChI InChI=1S/C16H10N4OS/c21-15(13-9-17-10-5-1-2-6-11(10)18-13)20-16-19-12-7-3-4-8-14(12)22-16/h1-9H,(H,19,20,21)
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n/an/an/a 3.16E+4n/an/an/an/an/a



Birla Institute of Technology and Science

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT3 receptor in guinea pig ileum longitudinal muscle myenteric plexus assessed as inhibition of 2-methyl-5-HT-induced contrac...


Bioorg Med Chem Lett 20: 6773-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.128
BindingDB Entry DOI: 10.7270/Q2WS8VHQ
More data for this
Ligand-Target Pair
HTR3A


(GUINEA PIG)
BDBM50410886
PNG
(CHEMBL207265)
Show SMILES COc1nc2ccccc2nc1C(=O)Nc1ccc(O)c(CN2CCNCC2)c1
Show InChI InChI=1S/C21H23N5O3/c1-29-21-19(24-16-4-2-3-5-17(16)25-21)20(28)23-15-6-7-18(27)14(12-15)13-26-10-8-22-9-11-26/h2-7,12,22,27H,8-11,13H2,1H3,(H,23,28)
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n/an/an/a 3.16E+4n/an/an/an/an/a



Periyar College of Pharmaceutical Sciences for Girls

Curated by ChEMBL


Assay Description
Antagonist effect against 2-methyl-5-HT activity at 5-HT3 receptor in longitudinal muscle myenteric plexus from guinea pig ileum


Bioorg Med Chem Lett 16: 2769-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.006
BindingDB Entry DOI: 10.7270/Q2MW2JCG
More data for this
Ligand-Target Pair
HTR3A


(GUINEA PIG)
BDBM50410891
PNG
(CHEMBL207135)
Show SMILES CCN1CCN(Cc2cc(NC(=O)c3nc4ccccc4nc3OC)cc(N3CCN(CC)CC3)c2O)CC1
Show InChI InChI=1S/C29H39N7O3/c1-4-33-10-12-35(13-11-33)20-21-18-22(19-25(27(21)37)36-16-14-34(5-2)15-17-36)30-28(38)26-29(39-3)32-24-9-7-6-8-23(24)31-26/h6-9,18-19,37H,4-5,10-17,20H2,1-3H3,(H,30,38)
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n/an/an/a 7.94E+4n/an/an/an/an/a



Periyar College of Pharmaceutical Sciences for Girls

Curated by ChEMBL


Assay Description
Antagonist effect against 2-methyl-5-HT activity at 5-HT3 receptor in longitudinal muscle myenteric plexus from guinea pig ileum


Bioorg Med Chem Lett 16: 2769-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.006
BindingDB Entry DOI: 10.7270/Q2MW2JCG
More data for this
Ligand-Target Pair
HTR3A


(GUINEA PIG)
BDBM50410874
PNG
(CHEMBL207964)
Show SMILES COc1nc2ccccc2nc1C(=O)Nc1cc(CN2CCNCC2)c(O)c(c1)N1CCNCC1
Show InChI InChI=1S/C25H31N7O3/c1-35-25-22(29-19-4-2-3-5-20(19)30-25)24(34)28-18-14-17(16-31-10-6-26-7-11-31)23(33)21(15-18)32-12-8-27-9-13-32/h2-5,14-15,26-27,33H,6-13,16H2,1H3,(H,28,34)
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n/an/an/a 1.00E+5n/an/an/an/an/a



Periyar College of Pharmaceutical Sciences for Girls

Curated by ChEMBL


Assay Description
Antagonist effect against 2-methyl-5-HT activity at 5-HT3 receptor in longitudinal muscle myenteric plexus from guinea pig ileum


Bioorg Med Chem Lett 16: 2769-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.006
BindingDB Entry DOI: 10.7270/Q2MW2JCG
More data for this
Ligand-Target Pair
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