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Compile Data Set for Download or QSAR

Found 1337 hits with Last Name = 'varasi' and Initial = 'm'   
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 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060242
PNG
(5-[3-(3,5-Dichloro-phenyl)-2-oxo-imidazolidin-1-yl...)
Show SMILES Cc1[nH]c[nH+]c1CN1CCN(C1=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C14H14Cl2N4O/c1-9-13(18-8-17-9)7-19-2-3-20(14(19)21)12-5-10(15)4-11(16)6-12/h4-6,8H,2-3,7H2,1H3,(H,17,18)/p+1
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0.0380n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50288587
PNG
(2-(4-amino-5-chloro-2,3-dihydrobenzo[b]furan-7-ylc...)
Show SMILES Nc1c2CCOc2c(cc1Cl)C(=O)N[C@@H]1CN2CCC1CC2 |wU:14.15,(8.93,-10.5,;8.98,-8.96,;10.32,-8.27,;11.77,-8.8,;12.73,-7.59,;11.87,-6.32,;10.39,-6.73,;9.09,-5.92,;7.74,-6.61,;7.68,-8.16,;6.34,-8.93,;9.16,-4.38,;7.86,-3.56,;10.52,-3.65,;10.57,-2.13,;11.94,-1.42,;12.01,.11,;10.73,-.78,;10.09,-.14,;9.28,-1.32,;9.34,.22,;10.71,.95,)|
Show InChI InChI=1S/C16H20ClN3O2/c17-12-7-11(15-10(14(12)18)3-6-22-15)16(21)19-13-8-20-4-1-9(13)2-5-20/h7,9,13H,1-6,8,18H2,(H,19,21)/t13-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50056419
PNG
(4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl)-5-chloro-...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CN2CCC1CC2 |wD:13.13,TLB:12:13:17.16:19.20,(11.11,-14.18,;11.11,-12.63,;9.77,-11.88,;8.43,-12.66,;7.09,-11.89,;5.75,-12.66,;7.09,-10.33,;5.76,-9.57,;8.43,-9.56,;9.75,-10.36,;11.09,-9.59,;11.11,-8.04,;12.44,-10.36,;13.77,-9.59,;14.8,-8.58,;16.63,-8.19,;17.94,-9.45,;16.9,-10.39,;15.57,-9.1,;15.88,-7.77,;16.88,-7.14,)|
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)/t13-/m1/s1
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0.110n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro relaxation of carbachol pre-contracted rat oesophageal TMM.


Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50288595
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(N)c3CCOc23)CC1
Show InChI InChI=1S/C19H27ClN2O3/c1-2-3-7-22-8-4-13(5-9-22)12-25-19(23)15-11-16(20)17(21)14-6-10-24-18(14)15/h11,13H,2-10,12,21H2,1H3
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0.130n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50288590
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES Nc1c2CCOc2c(cc1Cl)C(=O)O[C@@H]1CN2CCC1CC2 |wU:14.15,(8.93,-10.5,;8.98,-8.96,;10.32,-8.27,;11.77,-8.8,;12.73,-7.59,;11.87,-6.32,;10.39,-6.73,;9.09,-5.92,;7.74,-6.61,;7.68,-8.16,;6.34,-8.93,;9.16,-4.38,;7.86,-3.56,;10.52,-3.65,;10.57,-2.13,;11.94,-1.42,;12.01,.11,;10.73,-.78,;10.09,-.14,;9.28,-1.32,;9.34,.22,;10.71,.95,)|
Show InChI InChI=1S/C16H19ClN2O3/c17-12-7-11(15-10(14(12)18)3-6-21-15)16(20)22-13-8-19-4-1-9(13)2-5-19/h7,9,13H,1-6,8,18H2/t13-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060257
PNG
(3,3-Dimethyl-2,3-dihydro-indole-1-carboxylic acid ...)
Show SMILES CN1C2CCC1CC(C2)NC(=O)N1CC(C)(C)c2ccccc12 |THB:9:7:1:3.4|
Show InChI InChI=1S/C19H27N3O/c1-19(2)12-22(17-7-5-4-6-16(17)19)18(23)20-13-10-14-8-9-15(11-13)21(14)3/h4-7,13-15H,8-12H2,1-3H3,(H,20,23)
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0.260n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50449636
PNG
(BRL-43694 | GRANISETRON | Kytril | LY-278584 | San...)
Show SMILES [H][C@]12CCC[C@]([H])(C[C@H](C1)NC(=O)c1nn(C)c3ccccc13)N2C |r,TLB:24:23:8.9.7:2.4.3|
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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0.350n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060252
PNG
(5-[3-(3,5-Dimethyl-phenyl)-2-oxo-imidazolidin-1-yl...)
Show SMILES Cc1[nH]c[nH+]c1CN1CCN(C1=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C16H20N4O/c1-11-6-12(2)8-14(7-11)20-5-4-19(16(20)21)9-15-13(3)17-10-18-15/h6-8,10H,4-5,9H2,1-3H3,(H,17,18)/p+1
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0.420n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060245
PNG
(5-[3-(3-Chloro-phenyl)-2-oxo-imidazolidin-1-ylmeth...)
Show SMILES Cc1[nH]c[nH+]c1CN1CCN(C1=O)c1cccc(Cl)c1
Show InChI InChI=1S/C14H15ClN4O/c1-10-13(17-9-16-10)8-18-5-6-19(14(18)20)12-4-2-3-11(15)7-12/h2-4,7,9H,5-6,8H2,1H3,(H,16,17)/p+1
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0.5n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060259
PNG
(5-[3-(3-Bromo-phenyl)-2-oxo-imidazolidin-1-ylmethy...)
Show SMILES Cc1[nH]c[nH+]c1CN1CCN(C1=O)c1cccc(Br)c1
Show InChI InChI=1S/C14H15BrN4O/c1-10-13(17-9-16-10)8-18-5-6-19(14(18)20)12-4-2-3-11(15)7-12/h2-4,7,9H,5-6,8H2,1H3,(H,16,17)/p+1
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0.620n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060264
PNG
(4-Methyl-5-(2-oxo-3-m-tolyl-imidazolidin-1-ylmethy...)
Show SMILES Cc1[nH]c[nH+]c1CN1CCN(C1=O)c1cccc(C)c1
Show InChI InChI=1S/C15H18N4O/c1-11-4-3-5-13(8-11)19-7-6-18(15(19)20)9-14-12(2)16-10-17-14/h3-5,8,10H,6-7,9H2,1-2H3,(H,16,17)/p+1
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0.930n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50288597
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES Nc1c2CCOc2c(cc1Cl)C(=O)OCCN1CCCCC1
Show InChI InChI=1S/C16H21ClN2O3/c17-13-10-12(15-11(14(13)18)4-8-21-15)16(20)22-9-7-19-5-2-1-3-6-19/h10H,1-9,18H2
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0.940n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060277
PNG
(1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-(3,5-dichloro-p...)
Show SMILES Clc1cc(Cl)cc(c1)N1CCN(C2CN3CCC2CC3)C1=O |THB:11:12:16.15:18.19,(.04,-15.11,;1.38,-15.88,;1.38,-17.43,;2.71,-18.2,;2.71,-19.74,;4.05,-17.43,;4.05,-15.88,;2.71,-15.1,;5.38,-15.08,;6.78,-15.71,;7.81,-14.57,;7.04,-13.22,;7.65,-11.8,;7.87,-10.39,;9.14,-9.01,;8.69,-8.01,;8.27,-9.11,;8.82,-10.36,;10.65,-10.6,;10.94,-9.23,;5.53,-13.56,;4.37,-12.53,)|
Show InChI InChI=1S/C16H19Cl2N3O/c17-12-7-13(18)9-14(8-12)20-5-6-21(16(20)22)15-10-19-3-1-11(15)2-4-19/h7-9,11,15H,1-6,10H2
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1n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50288583
PNG
(2-(5-chloro-2,3-dihydrobenzo[b]furan-7-ylcarboxami...)
Show SMILES Clc1cc2CCOc2c(c1)C(=O)N[C@@H]1CN2CCC1CC2 |wU:13.14,(6.36,-10.16,;7.71,-9.4,;9.02,-10.2,;10.36,-9.5,;11.82,-10.04,;12.78,-8.83,;11.92,-7.54,;10.43,-7.96,;9.13,-7.14,;7.77,-7.85,;9.2,-5.61,;7.9,-4.79,;10.56,-4.88,;10.61,-3.34,;11.99,-2.64,;12.06,-1.08,;10.75,-.26,;9.38,-.98,;9.31,-2.54,;10.13,-1.35,;10.77,-1.99,)|
Show InChI InChI=1S/C16H19ClN2O2/c17-12-7-11-3-6-21-15(11)13(8-12)16(20)18-14-9-19-4-1-10(14)2-5-19/h7-8,10,14H,1-6,9H2,(H,18,20)/t14-/m1/s1
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1n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro relaxation of carbachol pre-contracted rat oesophageal TMM.


Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50288586
PNG
(2-(4-amino-5-chloro-2,3-dihydrobenzo[b]furan-7-ylc...)
Show SMILES Nc1c2CCOc2c(cc1Cl)C(=O)N[C@H]1CN2CCC1CC2 |wD:14.15,(8.91,-10.5,;8.98,-8.96,;10.32,-8.27,;11.76,-8.8,;12.71,-7.59,;11.85,-6.32,;10.38,-6.73,;9.09,-5.92,;7.73,-6.61,;7.66,-8.16,;6.34,-8.93,;9.16,-4.38,;7.86,-3.56,;10.51,-3.65,;10.57,-2.13,;11.94,-1.42,;12.01,.11,;10.73,-.78,;10.09,-.14,;9.27,-1.32,;9.32,.22,;10.7,.95,)|
Show InChI InChI=1S/C16H20ClN3O2/c17-12-7-11(15-10(14(12)18)3-6-22-15)16(21)19-13-8-20-4-1-9(13)2-5-20/h7,9,13H,1-6,8,18H2,(H,19,21)/t13-/m0/s1
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1n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
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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1n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50288581
PNG
(2-(4-amino-2,3-dihydrobenzo[b]furan-7-ylcarboxamid...)
Show SMILES Nc1ccc(C(=O)N[C@@H]2CN3CCC2CC3)c2OCCc12 |wU:8.7,(8.1,-10.51,;8.16,-8.97,;6.86,-8.17,;6.92,-6.62,;8.26,-5.93,;8.33,-4.39,;7.05,-3.56,;9.7,-3.66,;9.74,-2.13,;11.11,-1.42,;11.18,.11,;9.9,.95,;8.53,.22,;8.47,-1.32,;9.27,-.14,;9.9,-.78,;9.58,-6.73,;11.06,-6.32,;11.91,-7.6,;10.95,-8.81,;9.51,-8.28,)|
Show InChI InChI=1S/C16H21N3O2/c17-13-2-1-12(15-11(13)5-8-21-15)16(20)18-14-9-19-6-3-10(14)4-7-19/h1-2,10,14H,3-9,17H2,(H,18,20)/t14-/m1/s1
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1n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 4 receptor in rat striatum by [3H]GR-113808 displacement.


Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50288589
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES Nc1c2CCOc2c(cc1Cl)C(=O)O[C@H]1CN2CCC1CC2 |wD:14.15,(8.96,-10.53,;9.01,-8.99,;10.36,-8.28,;11.81,-8.8,;12.77,-7.61,;11.91,-6.31,;10.42,-6.74,;9.12,-5.92,;7.77,-6.61,;7.71,-8.19,;6.36,-8.93,;9.19,-4.37,;7.89,-3.56,;10.55,-3.66,;10.6,-2.11,;11.98,-1.42,;12.05,.13,;10.76,-.78,;10.12,-.14,;9.3,-1.31,;9.37,.24,;10.74,.95,)|
Show InChI InChI=1S/C16H19ClN2O3/c17-12-7-11(15-10(14(12)18)3-6-21-15)16(20)22-13-8-19-4-1-9(13)2-5-19/h7,9,13H,1-6,8,18H2/t13-/m0/s1
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1n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50161758
PNG
(2-(5-chloro-2,3-dihydrobenzo[b]furan-7-ylcarboxami...)
Show SMILES Clc1cc2CCOc2c(c1)C(=O)N[C@H]1CN2CCC1CC2 |wD:13.14,(6.37,-10.17,;7.7,-9.41,;9.02,-10.21,;10.37,-9.5,;11.82,-10.05,;12.78,-8.84,;11.91,-7.55,;10.43,-7.97,;9.14,-7.15,;7.77,-7.86,;9.21,-5.61,;7.89,-4.79,;10.56,-4.88,;10.62,-3.34,;12,-2.64,;12.07,-1.08,;10.76,-.26,;9.37,-.98,;9.31,-2.54,;10.14,-1.35,;10.78,-1.99,)|
Show InChI InChI=1S/C16H19ClN2O2/c17-12-7-11-3-6-21-15(11)13(8-12)16(20)18-14-9-19-4-1-10(14)2-5-19/h7-8,10,14H,1-6,9H2,(H,18,20)/t14-/m0/s1
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1n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 4 receptor in rat striatum by [3H]GR-113808 displacement.


Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50288591
PNG
(2-(2,3-dihydrobenzo[b]furan-7-ylcarboxamido)-(2S)-...)
Show SMILES O=C(N[C@@H]1CN2CCC1CC2)c1cccc2CCOc12 |wU:3.2,(7,-4.89,;8.29,-5.71,;9.67,-4.99,;9.7,-3.44,;11.08,-2.74,;11.15,-1.2,;9.86,-.37,;8.49,-1.1,;8.42,-2.64,;9.22,-1.45,;9.86,-2.1,;8.23,-7.25,;6.86,-7.96,;6.82,-9.51,;8.12,-10.31,;9.47,-9.6,;10.91,-10.15,;11.87,-8.93,;11.02,-7.64,;9.54,-8.07,)|
Show InChI InChI=1S/C16H20N2O2/c19-16(13-3-1-2-12-6-9-20-15(12)13)17-14-10-18-7-4-11(14)5-8-18/h1-3,11,14H,4-10H2,(H,17,19)/t14-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
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 |r,THB:9:7:4.3:1|
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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1.60n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060260
PNG
(4-Methyl-5-[3-(3-methylsulfanyl-phenyl)-2-oxo-imid...)
Show SMILES CSc1cccc(c1)N1CCN(Cc2[nH+]c[nH]c2C)C1=O
Show InChI InChI=1S/C15H18N4OS/c1-11-14(17-10-16-11)9-18-6-7-19(15(18)20)12-4-3-5-13(8-12)21-2/h3-5,8,10H,6-7,9H2,1-2H3,(H,16,17)/p+1
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1.60n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50288584
PNG
((S)-3-[(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-...)
Show SMILES CCCC[N+]12CCC(CC1)[C@@H](C2)NC(=O)c1cc(Cl)c(N)c2CCOc12 |wU:10.13,(15.06,.2,;13.73,.93,;12.42,.18,;11.12,.89,;9.81,.14,;8.52,.95,;7.13,.23,;7.06,-1.31,;7.89,-.15,;8.53,-.78,;8.38,-2.13,;9.74,-1.4,;8.32,-3.67,;6.96,-4.4,;5.64,-3.58,;6.9,-5.94,;5.53,-6.65,;5.46,-8.21,;4.13,-8.96,;6.76,-9.01,;6.72,-10.57,;8.13,-8.3,;9.58,-8.84,;10.54,-7.63,;9.67,-6.34,;8.18,-6.76,)|
Show InChI InChI=1S/C20H28ClN3O2/c1-2-3-7-24-8-4-13(5-9-24)17(12-24)23-20(25)15-11-16(21)18(22)14-6-10-26-19(14)15/h11,13,17H,2-10,12H2,1H3,(H2-,22,23,25)/p+1/t13?,17-,24?/m1/s1
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1.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 4 receptor in rat striatum by [3H]GR-113808 displacement.


Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50288594
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES CCCCN1CCC(CNC(=O)c2cc(Cl)c(N)c3CCOc23)CC1
Show InChI InChI=1S/C19H28ClN3O2/c1-2-3-7-23-8-4-13(5-9-23)12-22-19(24)15-11-16(20)17(21)14-6-10-25-18(14)15/h11,13H,2-10,12,21H2,1H3,(H,22,24)
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1.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060269
PNG
(1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-(3-chloro-pheny...)
Show SMILES Clc1cccc(c1)N1CCN(C2CN3CCC2CC3)C1=O |THB:10:11:15.14:17.18,(3.63,-19.42,;4.95,-20.19,;4.95,-21.73,;6.27,-22.5,;7.61,-21.73,;7.61,-20.19,;6.27,-19.42,;8.95,-19.41,;10.34,-20.03,;11.37,-18.88,;10.6,-17.55,;11.23,-16.14,;11.43,-14.71,;12.71,-13.33,;12.27,-12.33,;11.84,-13.42,;12.38,-14.67,;14.21,-14.93,;14.5,-13.55,;9.09,-17.88,;7.94,-16.85,)|
Show InChI InChI=1S/C16H20ClN3O/c17-13-2-1-3-14(10-13)19-8-9-20(16(19)21)15-11-18-6-4-12(15)5-7-18/h1-3,10,12,15H,4-9,11H2
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2n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060266
PNG
(5-[3-(3-Cyano-phenyl)-2-oxo-imidazolidin-1-ylmethy...)
Show SMILES Cc1[nH]c[nH+]c1CN1CCN(C1=O)c1cccc(c1)C#N
Show InChI InChI=1S/C15H15N5O/c1-11-14(18-10-17-11)9-19-5-6-20(15(19)21)13-4-2-3-12(7-13)8-16/h2-4,7,10H,5-6,9H2,1H3,(H,17,18)/p+1
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2.70n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060274
PNG
(1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-(3-bromo-phenyl...)
Show SMILES Brc1cccc(c1)N1CCN(C2CN3CCC2CC3)C1=O |TLB:10:11:15.14:17.18,(7,-9.48,;8.35,-10.25,;8.35,-11.79,;9.67,-12.56,;11.02,-11.79,;11.02,-10.25,;9.67,-9.48,;12.33,-9.44,;13.74,-10.08,;14.77,-8.93,;14,-7.58,;14.61,-6.17,;14.83,-4.76,;16.08,-3.38,;17.88,-3.6,;17.59,-4.98,;15.76,-4.73,;15.22,-3.48,;15.64,-2.38,;12.49,-7.94,;11.34,-6.91,)|
Show InChI InChI=1S/C16H20BrN3O/c17-13-2-1-3-14(10-13)19-8-9-20(16(19)21)15-11-18-6-4-12(15)5-7-18/h1-3,10,12,15H,4-9,11H2
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3n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060253
PNG
(4-Methyl-5-(2-oxo-3-phenyl-imidazolidin-1-ylmethyl...)
Show SMILES Cc1[nH]c[nH+]c1CN1CCN(C1=O)c1ccccc1
Show InChI InChI=1S/C14H16N4O/c1-11-13(16-10-15-11)9-17-7-8-18(14(17)19)12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3,(H,15,16)/p+1
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3.40n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060249
PNG
(5-[3-(3-Methoxy-phenyl)-2-oxo-imidazolidin-1-ylmet...)
Show SMILES COc1cccc(c1)N1CCN(Cc2[nH+]c[nH]c2C)C1=O
Show InChI InChI=1S/C15H18N4O2/c1-11-14(17-10-16-11)9-18-6-7-19(15(18)20)12-4-3-5-13(8-12)21-2/h3-5,8,10H,6-7,9H2,1-2H3,(H,16,17)/p+1
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3.60n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060268
PNG
(5-[3-(3-Fluoro-phenyl)-2-oxo-imidazolidin-1-ylmeth...)
Show SMILES Cc1[nH]c[nH+]c1CN1CCN(C1=O)c1cccc(F)c1
Show InChI InChI=1S/C14H15FN4O/c1-10-13(17-9-16-10)8-18-5-6-19(14(18)20)12-4-2-3-11(15)7-12/h2-4,7,9H,5-6,8H2,1H3,(H,16,17)/p+1
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3.70n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060247
PNG
(5-(2-Oxo-3-phenyl-imidazolidin-1-ylmethyl)-3H-imid...)
Show SMILES O=C1N(Cc2c[nH]c[nH+]2)CCN1c1ccccc1
Show InChI InChI=1S/C13H14N4O/c18-13-16(9-11-8-14-10-15-11)6-7-17(13)12-4-2-1-3-5-12/h1-5,8,10H,6-7,9H2,(H,14,15)/p+1
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4n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060273
PNG
(1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-m-tolyl-imidazo...)
Show SMILES Cc1cccc(c1)N1CCN(C2CN3CCC2CC3)C1=O |THB:10:11:15.14:17.18,(3.63,-19.42,;4.95,-20.19,;4.95,-21.73,;6.27,-22.5,;7.61,-21.73,;7.61,-20.19,;6.27,-19.42,;8.95,-19.41,;10.34,-20.03,;11.37,-18.88,;10.6,-17.55,;11.23,-16.14,;11.43,-14.71,;12.71,-13.33,;12.27,-12.33,;11.84,-13.42,;12.38,-14.67,;14.21,-14.93,;14.5,-13.55,;9.09,-17.88,;7.94,-16.85,)|
Show InChI InChI=1S/C17H23N3O/c1-13-3-2-4-15(11-13)19-9-10-20(17(19)21)16-12-18-7-5-14(16)6-8-18/h2-4,11,14,16H,5-10,12H2,1H3
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4n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50288585
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES Nc1c2CCOc2c(cc1Cl)C(=O)OCCCN1CCCCC1
Show InChI InChI=1S/C17H23ClN2O3/c18-14-11-13(16-12(15(14)19)5-10-22-16)17(21)23-9-4-8-20-6-2-1-3-7-20/h11H,1-10,19H2
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4.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060248
PNG
(1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-(3-methylsulfan...)
Show SMILES CSc1cccc(c1)N1CCN(C2CN3CCC2CC3)C1=O |THB:11:12:16.15:18.19,(.04,-13.57,;.04,-15.11,;1.38,-15.88,;1.38,-17.43,;2.71,-18.2,;4.05,-17.43,;4.05,-15.88,;2.71,-15.1,;5.38,-15.08,;6.78,-15.71,;7.81,-14.57,;7.04,-13.22,;7.65,-11.8,;7.87,-10.39,;9.14,-9.01,;8.69,-8.01,;8.27,-9.11,;8.82,-10.36,;10.65,-10.6,;10.94,-9.23,;5.53,-13.56,;4.37,-12.53,)|
Show InChI InChI=1S/C17H23N3OS/c1-22-15-4-2-3-14(11-15)19-9-10-20(17(19)21)16-12-18-7-5-13(16)6-8-18/h2-4,11,13,16H,5-10,12H2,1H3
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6n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060241
PNG
(1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-(3-methoxy-phen...)
Show SMILES COc1cccc(c1)N1CCN(C2CN3CCC2CC3)C1=O |THB:11:12:16.15:18.19,(3.63,-17.88,;3.63,-19.42,;4.95,-20.19,;4.95,-21.73,;6.27,-22.5,;7.61,-21.73,;7.61,-20.19,;6.27,-19.42,;8.95,-19.41,;10.34,-20.03,;11.37,-18.88,;10.6,-17.55,;11.23,-16.14,;11.43,-14.71,;12.71,-13.33,;12.27,-12.33,;11.84,-13.42,;12.38,-14.67,;14.21,-14.93,;14.5,-13.55,;9.09,-17.88,;7.94,-16.85,)|
Show InChI InChI=1S/C17H23N3O2/c1-22-15-4-2-3-14(11-15)19-9-10-20(17(19)21)16-12-18-7-5-13(16)6-8-18/h2-4,11,13,16H,5-10,12H2,1H3
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6n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060278
PNG
(4-Methyl-5-[3-(3-nitro-phenyl)-2-oxo-imidazolidin-...)
Show SMILES Cc1[nH+]c[nH]c1CN1CCN(C1=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H15N5O3/c1-10-13(16-9-15-10)8-17-5-6-18(14(17)20)11-3-2-4-12(7-11)19(21)22/h2-4,7,9H,5-6,8H2,1H3,(H,15,16)/p+1
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6.60n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060271
PNG
(1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-phenyl-imidazol...)
Show SMILES O=C1N(CCN1c1ccccc1)C1CN2CCC1CC2 |THB:2:12:16.15:18.19,(4.37,-12.53,;5.53,-13.56,;7.04,-13.22,;7.81,-14.57,;6.78,-15.71,;5.38,-15.08,;4.05,-15.88,;4.05,-17.43,;2.71,-18.2,;1.38,-17.43,;1.38,-15.88,;2.71,-15.1,;7.65,-11.8,;7.87,-10.39,;9.14,-9.01,;8.69,-8.01,;8.27,-9.11,;8.82,-10.36,;10.65,-10.6,;10.94,-9.23,)|
Show InChI InChI=1S/C16H21N3O/c20-16-18(14-4-2-1-3-5-14)10-11-19(16)15-12-17-8-6-13(15)7-9-17/h1-5,13,15H,6-12H2
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8n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50288590
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES Nc1c2CCOc2c(cc1Cl)C(=O)O[C@@H]1CN2CCC1CC2 |wU:14.15,(8.93,-10.5,;8.98,-8.96,;10.32,-8.27,;11.77,-8.8,;12.73,-7.59,;11.87,-6.32,;10.39,-6.73,;9.09,-5.92,;7.74,-6.61,;7.68,-8.16,;6.34,-8.93,;9.16,-4.38,;7.86,-3.56,;10.52,-3.65,;10.57,-2.13,;11.94,-1.42,;12.01,.11,;10.73,-.78,;10.09,-.14,;9.28,-1.32,;9.34,.22,;10.71,.95,)|
Show InChI InChI=1S/C16H19ClN2O3/c17-12-7-11(15-10(14(12)18)3-6-21-15)16(20)22-13-8-19-4-1-9(13)2-5-19/h7,9,13H,1-6,8,18H2/t13-/m1/s1
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8.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060244
PNG
(3,4-Dimethyl-5-(2-oxo-3-phenyl-imidazolidin-1-ylme...)
Show SMILES Cc1c(CN2CCN(C2=O)c2ccccc2)[nH+]cn1C
Show InChI InChI=1S/C15H18N4O/c1-12-14(16-11-17(12)2)10-18-8-9-19(15(18)20)13-6-4-3-5-7-13/h3-7,11H,8-10H2,1-2H3/p+1
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8.5n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50288596
PNG
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)
Show SMILES Nc1c2CCOc2c(cc1Cl)C(=O)NCCCN1CCCCC1
Show InChI InChI=1S/C17H24ClN3O2/c18-14-11-13(16-12(15(14)19)5-10-23-16)17(22)20-6-4-9-21-7-2-1-3-8-21/h11H,1-10,19H2,(H,20,22)
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9.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060276
PNG
(4-Methyl-5-[2-oxo-3-(3-trifluoromethyl-phenyl)-imi...)
Show SMILES Cc1[nH]c[nH+]c1CN1CCN(C1=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C15H15F3N4O/c1-10-13(20-9-19-10)8-21-5-6-22(14(21)23)12-4-2-3-11(7-12)15(16,17)18/h2-4,7,9H,5-6,8H2,1H3,(H,19,20)/p+1
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9.70n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50288592
PNG
((R)-3-[(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-...)
Show SMILES CCCC[N+]12CCC(CC1)[C@H](C2)NC(=O)c1cc(Cl)c(N)c2CCOc12 |wD:10.13,(15.06,.2,;13.73,.93,;12.42,.18,;11.12,.89,;9.81,.14,;8.52,.95,;7.13,.23,;7.06,-1.31,;7.89,-.15,;8.53,-.78,;8.38,-2.13,;9.74,-1.4,;8.32,-3.67,;6.96,-4.4,;5.64,-3.58,;6.9,-5.94,;5.53,-6.65,;5.46,-8.21,;4.13,-8.96,;6.76,-9.01,;6.72,-10.57,;8.13,-8.3,;9.58,-8.84,;10.54,-7.63,;9.67,-6.34,;8.18,-6.76,)|
Show InChI InChI=1S/C20H28ClN3O2/c1-2-3-7-24-8-4-13(5-9-24)17(12-24)23-20(25)15-11-16(21)18(22)14-6-10-26-19(14)15/h11,13,17H,2-10,12H2,1H3,(H2-,22,23,25)/p+1/t13?,17-,24?/m0/s1
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro relaxation of carbachol pre-contracted rat oesophageal TMM.


Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060250
PNG
(1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-(3-nitro-phenyl...)
Show SMILES [O-][N+](=O)c1cccc(c1)N1CCN(C2CN3CCC2CC3)C1=O |TLB:12:13:17.16:19.20,(.04,-13.55,;.04,-15.09,;-1.28,-15.87,;1.38,-15.86,;1.38,-17.41,;2.71,-18.18,;4.05,-17.41,;4.05,-15.86,;2.71,-15.09,;5.37,-15.07,;6.77,-15.7,;7.8,-14.55,;7.03,-13.21,;7.64,-11.79,;7.87,-10.38,;9.13,-9,;10.93,-9.22,;10.64,-10.59,;8.81,-10.35,;8.26,-9.1,;8.68,-8,;5.52,-13.55,;4.37,-12.52,)|
Show InChI InChI=1S/C16H20N4O3/c21-16-18(13-2-1-3-14(10-13)20(22)23)8-9-19(16)15-11-17-6-4-12(15)5-7-17/h1-3,10,12,15H,4-9,11H2
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10n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060243
PNG
(1-(8-Methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-3-phenyl...)
Show SMILES CN1C2CCC1CC(C2)N1CCN(C1=O)c1ccccc1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C17H23N3O/c1-18-14-7-8-15(18)12-16(11-14)20-10-9-19(17(20)21)13-5-3-2-4-6-13/h2-6,14-16H,7-12H2,1H3
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12n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50288593
PNG
(2-(2,3-dihydrobenzo[b]furan-7-ylcarboxamido)-(2R)-...)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1cccc2CCOc12 |wD:3.2,(7.01,-4.9,;8.31,-5.72,;9.68,-5,;9.73,-3.44,;11.11,-2.75,;11.17,-1.2,;9.87,-.37,;8.49,-1.1,;8.43,-2.64,;9.25,-1.45,;9.89,-2.11,;8.25,-7.26,;6.89,-7.97,;6.82,-9.53,;8.13,-10.33,;9.48,-9.62,;10.92,-10.16,;11.9,-8.95,;11.03,-7.65,;9.55,-8.08,)|
Show InChI InChI=1S/C16H20N2O2/c19-16(13-3-1-2-12-6-9-20-15(12)13)17-14-10-18-7-4-11(14)5-8-18/h1-3,11,14H,4-10H2,(H,17,19)/t14-/m0/s1
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14n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50288587
PNG
(2-(4-amino-5-chloro-2,3-dihydrobenzo[b]furan-7-ylc...)
Show SMILES Nc1c2CCOc2c(cc1Cl)C(=O)N[C@@H]1CN2CCC1CC2 |wU:14.15,(8.93,-10.5,;8.98,-8.96,;10.32,-8.27,;11.77,-8.8,;12.73,-7.59,;11.87,-6.32,;10.39,-6.73,;9.09,-5.92,;7.74,-6.61,;7.68,-8.16,;6.34,-8.93,;9.16,-4.38,;7.86,-3.56,;10.52,-3.65,;10.57,-2.13,;11.94,-1.42,;12.01,.11,;10.73,-.78,;10.09,-.14,;9.28,-1.32,;9.34,.22,;10.71,.95,)|
Show InChI InChI=1S/C16H20ClN3O2/c17-12-7-11(15-10(14(12)18)3-6-22-15)16(21)19-13-8-20-4-1-9(13)2-5-20/h7,9,13H,1-6,8,18H2,(H,19,21)/t13-/m1/s1
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17n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060251
PNG
(5-[3-(4-Chloro-phenyl)-2-oxo-imidazolidin-1-ylmeth...)
Show SMILES Cc1[nH]c[nH+]c1CN1CCN(C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C14H15ClN4O/c1-10-13(17-9-16-10)8-18-6-7-19(14(18)20)12-4-2-11(15)3-5-12/h2-5,9H,6-8H2,1H3,(H,16,17)/p+1
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19n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50288588
PNG
(2-(4-amino-2,3-dihydrobenzo[b]furan-7-ylcarboxamid...)
Show SMILES Nc1ccc(C(=O)N[C@H]2CN3CCC2CC3)c2OCCc12 |wD:8.7,(8.09,-10.5,;8.15,-8.96,;6.84,-8.16,;6.91,-6.61,;8.27,-5.92,;8.33,-4.38,;7.04,-3.56,;9.69,-3.65,;9.75,-2.13,;11.12,-1.42,;11.18,.11,;9.88,.95,;8.5,.22,;8.43,-1.32,;9.25,-.14,;9.91,-.78,;9.56,-6.73,;11.03,-6.32,;11.9,-7.59,;10.94,-8.8,;9.5,-8.27,)|
Show InChI InChI=1S/C16H21N3O2/c17-13-2-1-12(15-11(13)5-8-21-15)16(20)18-14-9-19-6-3-10(14)4-7-19/h1-2,10,14H,3-9,17H2,(H,18,20)/t14-/m0/s1
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20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro relaxation of carbachol pre-contracted rat oesophageal TMM.


Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50060258
PNG
(3-[3-(1-Aza-bicyclo[2.2.2]oct-3-yl)-2-oxo-imidazol...)
Show SMILES O=C1N(CCN1c1cccc(c1)C#N)C1CN2CCC1CC2 |THB:2:14:18.17:20.21,(4.37,-12.53,;5.53,-13.56,;7.04,-13.22,;7.81,-14.57,;6.78,-15.72,;5.38,-15.08,;4.05,-15.88,;4.05,-17.43,;2.71,-18.2,;1.38,-17.43,;1.38,-15.88,;2.71,-15.1,;.04,-15.12,;-1.31,-14.34,;7.65,-11.81,;7.87,-10.39,;9.14,-9.01,;8.69,-8.01,;8.27,-9.11,;8.82,-10.36,;10.65,-10.61,;10.94,-9.23,)|
Show InChI InChI=1S/C17H20N4O/c18-11-13-2-1-3-15(10-13)20-8-9-21(17(20)22)16-12-19-6-4-14(16)5-7-19/h1-3,10,14,16H,4-9,12H2
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30n/an/an/an/an/an/an/an/a



Pharmacia& Upjohn

Curated by ChEMBL


Assay Description
In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of [3H]BRL-43694 from rat entorhinal cortex


J Med Chem 40: 3369-80 (1997)


Article DOI: 10.1021/jm970060o
BindingDB Entry DOI: 10.7270/Q2X63NNK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
UniProtKB/SwissProt

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KEGG
PC cid
PC sid
PDB
UniChem
Article
37n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 6: 263-266 (1996)


Article DOI: 10.1016/0960-894X(96)00002-9
BindingDB Entry DOI: 10.7270/Q2MC90JK
More data for this
Ligand-Target Pair
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