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PubMed code 10585211

Compile data set for download or QSAR
Found 62 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/3B


(Rattus norvegicus-RAT)		BDBM50083190
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid (1-az...)
Show SMILES Clc1cc(C(=O)N[C@@H]2CN3CCC2CC3)c2[nH]cnc2c1 |wU:7.6,(6.26,-6.07,;7.6,-6.85,;8.93,-6.07,;10.26,-6.82,;11.6,-6.07,;11.57,-4.52,;12.93,-6.82,;14.25,-6.05,;14.25,-7.6,;15.57,-6.8,;14.39,-5.37,;14.46,-4.26,;15.75,-5.65,;17.23,-6.03,;17.07,-7.2,;10.26,-8.38,;11.41,-9.43,;10.8,-10.84,;9.27,-10.68,;8.94,-9.18,;7.6,-8.38,)|
Show InChI InChI=1S/C15H17ClN4O/c16-10-5-11(14-12(6-10)17-8-18-14)15(21)19-13-7-20-3-1-9(13)2-4-20/h5-6,8-9,13H,1-4,7H2,(H,17,18)(H,19,21)/t13-/m1/s1
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 0.130n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay, using [3H]-LY 278584 in rat cerebral cortex membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)		BDBM50083188
PNG
(7-Amino-6-chloro-1H-benzoimidazole-4-carboxylic ac...)
Show SMILES Nc1c(Cl)cc(C(=O)NC2CN3CCC2CC3)c2[nH]cnc12 |(6.56,-9.05,;7.88,-8.3,;7.88,-6.75,;6.56,-5.96,;9.21,-5.98,;10.55,-6.75,;11.88,-5.96,;11.85,-4.43,;13.21,-6.72,;14.54,-5.94,;14.52,-7.49,;15.86,-6.71,;14.68,-5.26,;14.75,-4.17,;16.02,-5.55,;17.51,-5.93,;17.35,-7.1,;10.55,-8.3,;11.71,-9.32,;11.09,-10.73,;9.55,-10.59,;9.23,-9.09,)|
Show InChI InChI=1S/C15H18ClN5O/c16-10-5-9(13-14(12(10)17)19-7-18-13)15(22)20-11-6-21-3-1-8(11)2-4-21/h5,7-8,11H,1-4,6,17H2,(H,18,19)(H,20,22)
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 0.240n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay, using [3H]-LY 278584 in rat cerebral cortex membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)		BDBM50083174
PNG
(6-Bromo-1H-benzoimidazole-4-carboxylic acid (1-aza...)
Show SMILES Brc1cc(C(=O)N[C@@H]2CN3CCC2CC3)c2[nH]cnc2c1 |wU:7.6,(6.11,-5.96,;7.44,-6.74,;8.76,-5.98,;10.11,-6.74,;11.43,-5.96,;11.43,-4.42,;12.77,-6.72,;14.09,-5.94,;14.07,-7.48,;15.41,-6.7,;14.23,-5.26,;14.29,-4.17,;15.57,-5.54,;17.05,-5.93,;16.89,-7.1,;10.11,-8.29,;11.26,-9.31,;10.63,-10.72,;9.09,-10.59,;8.76,-9.08,;7.44,-8.29,)|
Show InChI InChI=1S/C15H17BrN4O/c16-10-5-11(14-12(6-10)17-8-18-14)15(21)19-13-7-20-3-1-9(13)2-4-20/h5-6,8-9,13H,1-4,7H2,(H,17,18)(H,19,21)/t13-/m1/s1
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 0.280n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay, using [3H]-LY 278584 in rat cerebral cortex membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)		BDBM50083186
PNG
(6-Bromo-1H-benzoimidazole-4-carboxylic acid (1-aza...)
Show SMILES Brc1cc(C(=O)NC2CN3CCC2CC3)c2[nH]cnc2c1 |(6.12,-5.94,;7.44,-6.75,;8.76,-5.96,;10.11,-6.73,;11.43,-5.94,;11.43,-4.41,;12.77,-6.73,;14.09,-5.94,;14.07,-7.49,;15.41,-6.68,;14.23,-5.24,;14.29,-4.15,;15.57,-5.52,;17.05,-5.91,;16.89,-7.1,;10.11,-8.28,;11.27,-9.32,;10.63,-10.73,;9.09,-10.57,;8.76,-9.06,;7.44,-8.28,)|
Show InChI InChI=1S/C15H17BrN4O/c16-10-5-11(14-12(6-10)17-8-18-14)15(21)19-13-7-20-3-1-9(13)2-4-20/h5-6,8-9,13H,1-4,7H2,(H,17,18)(H,19,21)
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 0.290n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay, using [3H]-LY 278584 in rat cerebral cortex membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)		BDBM50083197
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid (1-az...)
Show SMILES Clc1cc(C(=O)NC2CN3CCC2CC3)c2[nH]cnc2c1 |THB:6:7:13.14:11.10,(-1.03,-3.27,;.07,-4.38,;1.41,-3.61,;2.74,-4.39,;4.08,-3.62,;4.09,-2.08,;5.41,-4.39,;6.75,-3.64,;7.8,-4.64,;7.25,-2.85,;8.5,-1.48,;7.53,-.47,;6.32,-1.82,;5.26,-1.62,;5.91,-2.57,;2.74,-5.93,;3.88,-6.97,;3.25,-8.38,;1.71,-8.22,;1.4,-6.7,;.07,-5.91,)|
Show InChI InChI=1S/C15H17ClN4O/c16-10-5-11(14-12(6-10)17-8-18-14)15(21)19-13-7-20-3-1-9(13)2-4-20/h5-6,8-9,13H,1-4,7H2,(H,17,18)(H,19,21)
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 0.290n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay, using [3H]-LY 278584 in rat cerebral cortex membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)		BDBM50083182
PNG
(7-Amino-6-bromo-1H-benzoimidazole-4-carboxylic aci...)
Show SMILES Nc1c(Br)cc(C(=O)NC2CN3CCC2CC3)c2[nH]cnc12 |(6.56,-9.06,;7.9,-8.29,;7.9,-6.74,;6.56,-5.96,;9.23,-5.98,;10.56,-6.74,;11.89,-5.96,;11.87,-4.42,;13.23,-6.72,;14.55,-5.94,;14.51,-7.48,;15.87,-6.7,;14.67,-5.26,;14.74,-4.17,;16.01,-5.54,;17.5,-5.93,;17.33,-7.1,;10.56,-8.29,;11.7,-9.31,;11.08,-10.72,;9.54,-10.59,;9.23,-9.08,)|
Show InChI InChI=1S/C15H18BrN5O/c16-10-5-9(13-14(12(10)17)19-7-18-13)15(22)20-11-6-21-3-1-8(11)2-4-21/h5,7-8,11H,1-4,6,17H2,(H,18,19)(H,20,22)
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 0.420n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay, using [3H]-LY 278584 in rat cerebral cortex membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)		BDBM50083191
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid (1-az...)
Show SMILES Clc1cc(C(=O)N[C@H]2CN3CCC2CC3)c2[nH]cnc2c1 |wD:7.6,(6.26,-6.07,;7.6,-6.85,;8.93,-6.07,;10.26,-6.82,;11.6,-6.07,;11.57,-4.52,;12.93,-6.82,;14.25,-6.05,;14.25,-7.6,;15.57,-6.8,;14.39,-5.37,;14.46,-4.26,;15.75,-5.65,;17.23,-6.03,;17.07,-7.2,;10.26,-8.38,;11.41,-9.43,;10.8,-10.84,;9.27,-10.68,;8.94,-9.18,;7.6,-8.38,)|
Show InChI InChI=1S/C15H17ClN4O/c16-10-5-11(14-12(6-10)17-8-18-14)15(21)19-13-7-20-3-1-9(13)2-4-20/h5-6,8-9,13H,1-4,7H2,(H,17,18)(H,19,21)/t13-/m0/s1
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 0.760n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay, using [3H]-LY 278584 in rat cerebral cortex membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(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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 0.770n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Compound was evalated for its in vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay , using [3H]-LY 278584 in...

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)		BDBM50083196
PNG
(6-Chloro-7-nitro-1H-benzoimidazole-4-carboxylic ac...)
Show SMILES [O-][N+](=O)c1c(Cl)cc(C(=O)N[C@@H]2CN3CCC2CC3)c2[nH]cnc12 |wU:11.10,(5.22,-8.23,;6.54,-9.02,;6.52,-10.56,;7.88,-8.27,;7.88,-6.72,;6.54,-5.94,;9.18,-5.96,;10.53,-6.72,;11.84,-5.94,;11.84,-4.41,;13.19,-6.7,;14.49,-5.92,;14.49,-7.46,;15.81,-6.68,;14.65,-5.24,;14.72,-4.16,;15.99,-5.53,;17.47,-5.91,;17.3,-7.08,;10.53,-8.27,;11.67,-9.29,;11.07,-10.7,;9.53,-10.56,;9.2,-9.06,)|
Show InChI InChI=1S/C15H16ClN5O3/c16-10-5-9(12-13(18-7-17-12)14(10)21(23)24)15(22)19-11-6-20-3-1-8(11)2-4-20/h5,7-8,11H,1-4,6H2,(H,17,18)(H,19,22)/t11-/m1/s1
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 1.70n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay, using [3H]-LY 278584 in rat cerebral cortex membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)		BDBM50083184
PNG
(7-Amino-1H-benzoimidazole-4-carboxylic acid (1-aza...)
Show SMILES Nc1ccc(C(=O)NC2CN3CCC2CC3)c2[nH]cnc12 |(6.54,-9.03,;7.86,-8.27,;7.86,-6.72,;9.2,-5.96,;10.52,-6.72,;11.86,-5.94,;11.83,-4.41,;13.17,-6.7,;14.49,-5.92,;14.47,-7.46,;15.81,-6.68,;14.63,-5.24,;14.7,-4.16,;15.97,-5.53,;17.45,-5.91,;17.29,-7.08,;10.52,-8.27,;11.67,-9.29,;11.05,-10.69,;9.5,-10.56,;9.2,-9.05,)|
Show InChI InChI=1S/C15H19N5O/c16-11-2-1-10(13-14(11)18-8-17-13)15(21)19-12-7-20-5-3-9(12)4-6-20/h1-2,8-9,12H,3-7,16H2,(H,17,18)(H,19,21)
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 2.40n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay, using [3H]-LY 278584 in rat cerebral cortex membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)		BDBM50083195
PNG
(1H-Benzoimidazole-4-carboxylic acid ((S)-4-ethyl-1...)
Show SMILES CCC1CCN(C)C[C@H]1NC(=O)c1cccc2nc[nH]c12
Show InChI InChI=1S/C16H22N4O/c1-3-11-7-8-20(2)9-14(11)19-16(21)12-5-4-6-13-15(12)18-10-17-13/h4-6,10-11,14H,3,7-9H2,1-2H3,(H,17,18)(H,19,21)/t11?,14-/m1/s1
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 2.60n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay, using [3H]-LY 278584 in rat cerebral cortex membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)		BDBM50083176
PNG
(6-Bromo-1H-benzoimidazole-4-carboxylic acid (1-aza...)
Show SMILES Brc1cc(C(=O)N[C@H]2CN3CCC2CC3)c2[nH]cnc2c1 |wD:7.6,(6.11,-5.96,;7.44,-6.74,;8.76,-5.98,;10.11,-6.74,;11.43,-5.96,;11.43,-4.42,;12.77,-6.72,;14.09,-5.94,;14.07,-7.48,;15.41,-6.7,;14.23,-5.26,;14.29,-4.17,;15.57,-5.54,;17.05,-5.93,;16.89,-7.1,;10.11,-8.29,;11.26,-9.31,;10.63,-10.72,;9.09,-10.59,;8.76,-9.08,;7.44,-8.29,)|
Show InChI InChI=1S/C15H17BrN4O/c16-10-5-11(14-12(6-10)17-8-18-14)15(21)19-13-7-20-3-1-9(13)2-4-20/h5-6,8-9,13H,1-4,7H2,(H,17,18)(H,19,21)/t13-/m0/s1
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 3.40n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay, using [3H]-LY 278584 in rat cerebral cortex membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)		BDBM50083192
PNG
(1H-Benzoimidazole-4-carboxylic acid (1-aza-bicyclo...)
Show SMILES O=C(NC1CN2CCC1CC2)c1cccc2nc[nH]c12 |THB:2:3:9.10:7.6,(4.09,-2.08,;4.08,-3.62,;5.41,-4.39,;6.75,-3.64,;7.8,-4.64,;7.25,-2.85,;8.5,-1.48,;7.53,-.47,;6.32,-1.82,;5.26,-1.62,;5.91,-2.57,;2.74,-4.39,;1.41,-3.61,;.07,-4.38,;.07,-5.91,;1.4,-6.7,;1.71,-8.22,;3.25,-8.38,;3.88,-6.97,;2.74,-5.93,)|
Show InChI InChI=1S/C15H18N4O/c20-15(11-2-1-3-12-14(11)17-9-16-12)18-13-8-19-6-4-10(13)5-7-19/h1-3,9-10,13H,4-8H2,(H,16,17)(H,18,20)
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 3.70n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay, using [3H]-LY 278584 in rat cerebral cortex membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)		BDBM50083178
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid 9-met...)
Show SMILES CN1C2CCCC1CC(C2)OC(=O)c1cc(Cl)cc2[nH]cnc12 |THB:10:8:1:3.5.4|
Show InChI InChI=1S/C17H20ClN3O2/c1-21-11-3-2-4-12(21)8-13(7-11)23-17(22)14-5-10(18)6-15-16(14)20-9-19-15/h5-6,9,11-13H,2-4,7-8H2,1H3,(H,19,20)
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 4.90n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay, using [3H]-LY 278584 in rat cerebral cortex membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)		BDBM50083178
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid 9-met...)
Show SMILES CN1C2CCCC1CC(C2)OC(=O)c1cc(Cl)cc2[nH]cnc12 |THB:10:8:1:3.5.4|
Show InChI InChI=1S/C17H20ClN3O2/c1-21-11-3-2-4-12(21)8-13(7-11)23-17(22)14-5-10(18)6-15-16(14)20-9-19-15/h5-6,9,11-13H,2-4,7-8H2,1H3,(H,19,20)
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 4.90n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay, using [3H]-LY 278584 in rat cerebral cortex membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)		BDBM50083194
PNG
(6-Chloro-7-nitro-1H-benzoimidazole-4-carboxylic ac...)
Show SMILES [O-][N+](=O)c1c(Cl)cc(C(=O)NC2CN3CCC2CC3)c2[nH]cnc12 |(5.24,-8.26,;6.4,-9.09,;6.56,-10.59,;7.9,-8.3,;7.9,-6.75,;6.57,-5.96,;9.23,-5.98,;10.57,-6.75,;11.9,-5.96,;11.88,-4.43,;13.24,-6.72,;14.56,-5.94,;14.54,-7.49,;15.89,-6.71,;14.7,-5.26,;14.77,-4.17,;16.05,-5.55,;17.53,-5.93,;17.36,-7.1,;10.57,-8.3,;11.71,-9.32,;11.11,-10.73,;9.57,-10.59,;9.26,-9.09,)|
Show InChI InChI=1S/C15H16ClN5O3/c16-10-5-9(12-13(18-7-17-12)14(10)21(23)24)15(22)19-11-6-20-3-1-8(11)2-4-20/h5,7-8,11H,1-4,6H2,(H,17,18)(H,19,22)
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 5.20n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay, using [3H]-LY 278584 in rat cerebral cortex membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)		BDBM50083181
PNG
(6-Bromo-7-nitro-1H-benzoimidazole-4-carboxylic aci...)
Show SMILES [O-][N+](=O)c1c(Br)cc(C(=O)NC2CN3CCC2CC3)c2[nH]cnc12 |(5.24,-8.3,;6.54,-8.93,;6.56,-10.6,;7.9,-8.3,;7.9,-6.75,;6.57,-5.96,;9.23,-5.98,;10.57,-6.75,;11.9,-5.96,;11.88,-4.43,;13.24,-6.72,;14.56,-5.94,;14.54,-7.49,;15.89,-6.71,;14.7,-5.26,;14.77,-4.17,;16.05,-5.55,;17.53,-5.93,;17.37,-7.1,;10.57,-8.3,;11.71,-9.32,;11.11,-10.73,;9.57,-10.59,;9.26,-9.09,)|
Show InChI InChI=1S/C15H16BrN5O3/c16-10-5-9(12-13(18-7-17-12)14(10)21(23)24)15(22)19-11-6-20-3-1-8(11)2-4-20/h5,7-8,11H,1-4,6H2,(H,17,18)(H,19,22)
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 8.80n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay, using [3H]-LY 278584 in rat cerebral cortex membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)		BDBM50083185
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid 1-aza...)
Show SMILES Clc1cc(C(=O)OC2CN3CCC2CC3)c2nc[nH]c2c1 |THB:6:7:13.14:11.10,(5.6,-10.41,;6.94,-11.18,;8.27,-10.41,;9.61,-11.2,;10.95,-10.44,;10.95,-8.9,;12.28,-11.21,;13.61,-10.44,;14.66,-11.44,;14.12,-9.66,;15.36,-8.29,;14.4,-7.28,;13.19,-8.62,;12.12,-8.41,;12.77,-9.39,;9.6,-12.74,;10.74,-13.77,;10.11,-15.19,;8.57,-15.03,;8.27,-13.51,;6.94,-12.72,)|
Show InChI InChI=1S/C15H16ClN3O2/c16-10-5-11(14-12(6-10)17-8-18-14)15(20)21-13-7-19-3-1-9(13)2-4-19/h5-6,8-9,13H,1-4,7H2,(H,17,18)
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 9.30n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay, using [3H]-LY 278584 in rat cerebral cortex membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)		BDBM50083183
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid (8-me...)
Show SMILES CN1C2CCC1CC(C2)NC(=O)c1cc(Cl)cc2nc[nH]c12 |TLB:9:7:1:3.4|
Show InChI InChI=1S/C16H19ClN4O/c1-21-11-2-3-12(21)7-10(6-11)20-16(22)13-4-9(17)5-14-15(13)19-8-18-14/h4-5,8,10-12H,2-3,6-7H2,1H3,(H,18,19)(H,20,22)
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 17n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay, using [3H]-LY 278584 in rat cerebral cortex membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)		BDBM50083174
PNG
(6-Bromo-1H-benzoimidazole-4-carboxylic acid (1-aza...)
Show SMILES Brc1cc(C(=O)N[C@@H]2CN3CCC2CC3)c2[nH]cnc2c1 |wU:7.6,(6.11,-5.96,;7.44,-6.74,;8.76,-5.98,;10.11,-6.74,;11.43,-5.96,;11.43,-4.42,;12.77,-6.72,;14.09,-5.94,;14.07,-7.48,;15.41,-6.7,;14.23,-5.26,;14.29,-4.17,;15.57,-5.54,;17.05,-5.93,;16.89,-7.1,;10.11,-8.29,;11.26,-9.31,;10.63,-10.72,;9.09,-10.59,;8.76,-9.08,;7.44,-8.29,)|
Show InChI InChI=1S/C15H17BrN4O/c16-10-5-11(14-12(6-10)17-8-18-14)15(21)19-13-7-20-3-1-9(13)2-4-20/h5-6,8-9,13H,1-4,7H2,(H,17,18)(H,19,21)/t13-/m1/s1
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 38n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)		BDBM50083198
PNG
(1H-Benzoimidazole-4-carboxylic acid ((R)-4-ethyl-1...)
Show SMILES CCC1CCN(C)C[C@@H]1NC(=O)c1cccc2nc[nH]c12
Show InChI InChI=1S/C16H22N4O/c1-3-11-7-8-20(2)9-14(11)19-16(21)12-5-4-6-13-15(12)18-10-17-13/h4-6,10-11,14H,3,7-9H2,1-2H3,(H,17,18)(H,19,21)/t11?,14-/m0/s1
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 38n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay, using [3H]-LY 278584 in rat cerebral cortex membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)		BDBM50083193
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid 8-met...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)c1cc(Cl)cc2[nH]cnc12 |THB:9:7:1:3.4|
Show InChI InChI=1S/C16H18ClN3O2/c1-20-10-2-3-11(20)7-12(6-10)22-16(21)13-4-9(17)5-14-15(13)19-8-18-14/h4-5,8,10-12H,2-3,6-7H2,1H3,(H,18,19)
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 61n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay, using [3H]-LY 278584 in rat cerebral cortex membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)		BDBM50083189
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid (9-me...)
Show SMILES CN1C2CCCC1CC(C2)NC(=O)c1cc(Cl)cc2nc[nH]c12 |THB:10:8:1:3.5.4|
Show InChI InChI=1S/C17H21ClN4O/c1-22-12-3-2-4-13(22)8-11(7-12)21-17(23)14-5-10(18)6-15-16(14)20-9-19-15/h5-6,9,11-13H,2-4,7-8H2,1H3,(H,19,20)(H,21,23)
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 83n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay, using [3H]-LY 278584 in rat cerebral cortex membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)		BDBM50083189
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid (9-me...)
Show SMILES CN1C2CCCC1CC(C2)NC(=O)c1cc(Cl)cc2nc[nH]c12 |THB:10:8:1:3.5.4|
Show InChI InChI=1S/C17H21ClN4O/c1-22-12-3-2-4-13(22)8-11(7-12)21-17(23)14-5-10(18)6-15-16(14)20-9-19-15/h5-6,9,11-13H,2-4,7-8H2,1H3,(H,19,20)(H,21,23)
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 83n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay, using [3H]-LY 278584 in rat cerebral cortex membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)		BDBM50083177
PNG
(1H-Benzoimidazole-4-carboxylic acid (8-methyl-8-az...)
Show SMILES CN1C2CCC1CC(C2)NC(=O)c1cccc2nc[nH]c12 |TLB:9:7:1:3.4|
Show InChI InChI=1S/C16H20N4O/c1-20-11-5-6-12(20)8-10(7-11)19-16(21)13-3-2-4-14-15(13)18-9-17-14/h2-4,9-12H,5-8H2,1H3,(H,17,18)(H,19,21)
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 118n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay, using [3H]-LY 278584 in rat cerebral cortex membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)		BDBM50083189
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid (9-me...)
Show SMILES CN1C2CCCC1CC(C2)NC(=O)c1cc(Cl)cc2nc[nH]c12 |THB:10:8:1:3.5.4|
Show InChI InChI=1S/C17H21ClN4O/c1-22-12-3-2-4-13(22)8-11(7-12)21-17(23)14-5-10(18)6-15-16(14)20-9-19-15/h5-6,9,11-13H,2-4,7-8H2,1H3,(H,19,20)(H,21,23)
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 167n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)		BDBM50083186
PNG
(6-Bromo-1H-benzoimidazole-4-carboxylic acid (1-aza...)
Show SMILES Brc1cc(C(=O)NC2CN3CCC2CC3)c2[nH]cnc2c1 |(6.12,-5.94,;7.44,-6.75,;8.76,-5.96,;10.11,-6.73,;11.43,-5.94,;11.43,-4.41,;12.77,-6.73,;14.09,-5.94,;14.07,-7.49,;15.41,-6.68,;14.23,-5.24,;14.29,-4.15,;15.57,-5.52,;17.05,-5.91,;16.89,-7.1,;10.11,-8.28,;11.27,-9.32,;10.63,-10.73,;9.09,-10.57,;8.76,-9.06,;7.44,-8.28,)|
Show InChI InChI=1S/C15H17BrN4O/c16-10-5-11(14-12(6-10)17-8-18-14)15(21)19-13-7-20-3-1-9(13)2-4-20/h5-6,8-9,13H,1-4,7H2,(H,17,18)(H,19,21)
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 168n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)		BDBM50083197
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid (1-az...)
Show SMILES Clc1cc(C(=O)NC2CN3CCC2CC3)c2[nH]cnc2c1 |THB:6:7:13.14:11.10,(-1.03,-3.27,;.07,-4.38,;1.41,-3.61,;2.74,-4.39,;4.08,-3.62,;4.09,-2.08,;5.41,-4.39,;6.75,-3.64,;7.8,-4.64,;7.25,-2.85,;8.5,-1.48,;7.53,-.47,;6.32,-1.82,;5.26,-1.62,;5.91,-2.57,;2.74,-5.93,;3.88,-6.97,;3.25,-8.38,;1.71,-8.22,;1.4,-6.7,;.07,-5.91,)|
Show InChI InChI=1S/C15H17ClN4O/c16-10-5-11(14-12(6-10)17-8-18-14)15(21)19-13-7-20-3-1-9(13)2-4-20/h5-6,8-9,13H,1-4,7H2,(H,17,18)(H,19,21)
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 168n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)		BDBM50083179
PNG
(1H-Benzoimidazole-4-carboxylic acid 1-aza-bicyclo[...)
Show SMILES O=C(OC1CN2CCC1CC2)c1cccc2nc[nH]c12 |THB:2:3:9.10:7.6,(10.95,-8.9,;10.95,-10.44,;12.28,-11.21,;13.61,-10.44,;14.66,-11.44,;14.13,-9.66,;15.36,-8.29,;14.41,-7.28,;13.19,-8.62,;12.12,-8.41,;12.77,-9.39,;9.61,-11.2,;8.27,-10.42,;6.94,-11.19,;6.94,-12.73,;8.27,-13.51,;8.57,-15.03,;10.11,-15.19,;10.74,-13.78,;9.6,-12.74,)|
Show InChI InChI=1S/C15H17N3O2/c19-15(11-2-1-3-12-14(11)17-9-16-12)20-13-8-18-6-4-10(13)5-7-18/h1-3,9-10,13H,4-8H2,(H,16,17)
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 185n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay, using [3H]-LY 278584 in rat cerebral cortex membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)		BDBM50083188
PNG
(7-Amino-6-chloro-1H-benzoimidazole-4-carboxylic ac...)
Show SMILES Nc1c(Cl)cc(C(=O)NC2CN3CCC2CC3)c2[nH]cnc12 |(6.56,-9.05,;7.88,-8.3,;7.88,-6.75,;6.56,-5.96,;9.21,-5.98,;10.55,-6.75,;11.88,-5.96,;11.85,-4.43,;13.21,-6.72,;14.54,-5.94,;14.52,-7.49,;15.86,-6.71,;14.68,-5.26,;14.75,-4.17,;16.02,-5.55,;17.51,-5.93,;17.35,-7.1,;10.55,-8.3,;11.71,-9.32,;11.09,-10.73,;9.55,-10.59,;9.23,-9.09,)|
Show InChI InChI=1S/C15H18ClN5O/c16-10-5-9(13-14(12(10)17)19-7-18-13)15(22)20-11-6-21-3-1-8(11)2-4-21/h5,7-8,11H,1-4,6,17H2,(H,18,19)(H,20,22)
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 187n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)		BDBM50083191
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid (1-az...)
Show SMILES Clc1cc(C(=O)N[C@H]2CN3CCC2CC3)c2[nH]cnc2c1 |wD:7.6,(6.26,-6.07,;7.6,-6.85,;8.93,-6.07,;10.26,-6.82,;11.6,-6.07,;11.57,-4.52,;12.93,-6.82,;14.25,-6.05,;14.25,-7.6,;15.57,-6.8,;14.39,-5.37,;14.46,-4.26,;15.75,-5.65,;17.23,-6.03,;17.07,-7.2,;10.26,-8.38,;11.41,-9.43,;10.8,-10.84,;9.27,-10.68,;8.94,-9.18,;7.6,-8.38,)|
Show InChI InChI=1S/C15H17ClN4O/c16-10-5-11(14-12(6-10)17-8-18-14)15(21)19-13-7-20-3-1-9(13)2-4-20/h5-6,8-9,13H,1-4,7H2,(H,17,18)(H,19,21)/t13-/m0/s1
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 205n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)		BDBM50083182
PNG
(7-Amino-6-bromo-1H-benzoimidazole-4-carboxylic aci...)
Show SMILES Nc1c(Br)cc(C(=O)NC2CN3CCC2CC3)c2[nH]cnc12 |(6.56,-9.06,;7.9,-8.29,;7.9,-6.74,;6.56,-5.96,;9.23,-5.98,;10.56,-6.74,;11.89,-5.96,;11.87,-4.42,;13.23,-6.72,;14.55,-5.94,;14.51,-7.48,;15.87,-6.7,;14.67,-5.26,;14.74,-4.17,;16.01,-5.54,;17.5,-5.93,;17.33,-7.1,;10.56,-8.29,;11.7,-9.31,;11.08,-10.72,;9.54,-10.59,;9.23,-9.08,)|
Show InChI InChI=1S/C15H18BrN5O/c16-10-5-9(13-14(12(10)17)19-7-18-13)15(22)20-11-6-21-3-1-8(11)2-4-21/h5,7-8,11H,1-4,6,17H2,(H,18,19)(H,20,22)
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 227n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)		BDBM50083187
PNG
(1H-Benzoimidazole-4-carboxylic acid (9-methyl-9-az...)
Show SMILES CN1C2CCCC1CC(C2)NC(=O)c1cccc2nc[nH]c12 |THB:10:8:1:3.5.4|
Show InChI InChI=1S/C17H22N4O/c1-21-12-4-2-5-13(21)9-11(8-12)20-17(22)14-6-3-7-15-16(14)19-10-18-15/h3,6-7,10-13H,2,4-5,8-9H2,1H3,(H,18,19)(H,20,22)
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 230n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay, using [3H]-LY 278584 in rat cerebral cortex membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)		BDBM50083187
PNG
(1H-Benzoimidazole-4-carboxylic acid (9-methyl-9-az...)
Show SMILES CN1C2CCCC1CC(C2)NC(=O)c1cccc2nc[nH]c12 |THB:10:8:1:3.5.4|
Show InChI InChI=1S/C17H22N4O/c1-21-12-4-2-5-13(21)9-11(8-12)20-17(22)14-6-3-7-15-16(14)19-10-18-15/h3,6-7,10-13H,2,4-5,8-9H2,1H3,(H,18,19)(H,20,22)
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 230n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay, using [3H]-LY 278584 in rat cerebral cortex membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)		BDBM50083176
PNG
(6-Bromo-1H-benzoimidazole-4-carboxylic acid (1-aza...)
Show SMILES Brc1cc(C(=O)N[C@H]2CN3CCC2CC3)c2[nH]cnc2c1 |wD:7.6,(6.11,-5.96,;7.44,-6.74,;8.76,-5.98,;10.11,-6.74,;11.43,-5.96,;11.43,-4.42,;12.77,-6.72,;14.09,-5.94,;14.07,-7.48,;15.41,-6.7,;14.23,-5.26,;14.29,-4.17,;15.57,-5.54,;17.05,-5.93,;16.89,-7.1,;10.11,-8.29,;11.26,-9.31,;10.63,-10.72,;9.09,-10.59,;8.76,-9.08,;7.44,-8.29,)|
Show InChI InChI=1S/C15H17BrN4O/c16-10-5-11(14-12(6-10)17-8-18-14)15(21)19-13-7-20-3-1-9(13)2-4-20/h5-6,8-9,13H,1-4,7H2,(H,17,18)(H,19,21)/t13-/m0/s1
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 270n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)		BDBM50083183
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid (8-me...)
Show SMILES CN1C2CCC1CC(C2)NC(=O)c1cc(Cl)cc2nc[nH]c12 |TLB:9:7:1:3.4|
Show InChI InChI=1S/C16H19ClN4O/c1-21-11-2-3-12(21)7-10(6-11)20-16(22)13-4-9(17)5-14-15(13)19-8-18-14/h4-5,8,10-12H,2-3,6-7H2,1H3,(H,18,19)(H,20,22)
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 319n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)		BDBM50083193
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid 8-met...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)c1cc(Cl)cc2[nH]cnc12 |THB:9:7:1:3.4|
Show InChI InChI=1S/C16H18ClN3O2/c1-20-10-2-3-11(20)7-12(6-10)22-16(21)13-4-9(17)5-14-15(13)19-8-18-14/h4-5,8,10-12H,2-3,6-7H2,1H3,(H,18,19)
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 356n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)		BDBM50083185
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid 1-aza...)
Show SMILES Clc1cc(C(=O)OC2CN3CCC2CC3)c2nc[nH]c2c1 |THB:6:7:13.14:11.10,(5.6,-10.41,;6.94,-11.18,;8.27,-10.41,;9.61,-11.2,;10.95,-10.44,;10.95,-8.9,;12.28,-11.21,;13.61,-10.44,;14.66,-11.44,;14.12,-9.66,;15.36,-8.29,;14.4,-7.28,;13.19,-8.62,;12.12,-8.41,;12.77,-9.39,;9.6,-12.74,;10.74,-13.77,;10.11,-15.19,;8.57,-15.03,;8.27,-13.51,;6.94,-12.72,)|
Show InChI InChI=1S/C15H16ClN3O2/c16-10-5-11(14-12(6-10)17-8-18-14)15(20)21-13-7-19-3-1-9(13)2-4-19/h5-6,8-9,13H,1-4,7H2,(H,17,18)
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 440n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)		BDBM50083175
PNG
(1H-Benzoimidazole-4-carboxylic acid 9-methyl-9-aza...)
Show SMILES CN1C2CCCC1CC(C2)OC(=O)c1cccc2nc[nH]c12 |THB:10:8:1:3.5.4|
Show InChI InChI=1S/C17H21N3O2/c1-20-11-4-2-5-12(20)9-13(8-11)22-17(21)14-6-3-7-15-16(14)19-10-18-15/h3,6-7,10-13H,2,4-5,8-9H2,1H3,(H,18,19)
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 678n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Compound was evalated for its in vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay , using [3H]-LY 278584 in...

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)		BDBM50083175
PNG
(1H-Benzoimidazole-4-carboxylic acid 9-methyl-9-aza...)
Show SMILES CN1C2CCCC1CC(C2)OC(=O)c1cccc2nc[nH]c12 |THB:10:8:1:3.5.4|
Show InChI InChI=1S/C17H21N3O2/c1-20-11-4-2-5-12(20)9-13(8-11)22-17(21)14-6-3-7-15-16(14)19-10-18-15/h3,6-7,10-13H,2,4-5,8-9H2,1H3,(H,18,19)
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 678n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Compound was evalated for its in vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay , using [3H]-LY 278584 in...

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)		BDBM50083184
PNG
(7-Amino-1H-benzoimidazole-4-carboxylic acid (1-aza...)
Show SMILES Nc1ccc(C(=O)NC2CN3CCC2CC3)c2[nH]cnc12 |(6.54,-9.03,;7.86,-8.27,;7.86,-6.72,;9.2,-5.96,;10.52,-6.72,;11.86,-5.94,;11.83,-4.41,;13.17,-6.7,;14.49,-5.92,;14.47,-7.46,;15.81,-6.68,;14.63,-5.24,;14.7,-4.16,;15.97,-5.53,;17.45,-5.91,;17.29,-7.08,;10.52,-8.27,;11.67,-9.29,;11.05,-10.69,;9.5,-10.56,;9.2,-9.05,)|
Show InChI InChI=1S/C15H19N5O/c16-11-2-1-10(13-14(11)18-8-17-13)15(21)19-12-7-20-5-3-9(12)4-6-20/h1-2,8-9,12H,3-7,16H2,(H,17,18)(H,19,21)
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 779n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)		BDBM50083178
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid 9-met...)
Show SMILES CN1C2CCCC1CC(C2)OC(=O)c1cc(Cl)cc2[nH]cnc12 |THB:10:8:1:3.5.4|
Show InChI InChI=1S/C17H20ClN3O2/c1-21-11-3-2-4-12(21)8-13(7-11)23-17(22)14-5-10(18)6-15-16(14)20-9-19-15/h5-6,9,11-13H,2-4,7-8H2,1H3,(H,19,20)
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>1.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)		BDBM50083195
PNG
(1H-Benzoimidazole-4-carboxylic acid ((S)-4-ethyl-1...)
Show SMILES CCC1CCN(C)C[C@H]1NC(=O)c1cccc2nc[nH]c12
Show InChI InChI=1S/C16H22N4O/c1-3-11-7-8-20(2)9-14(11)19-16(21)12-5-4-6-13-15(12)18-10-17-13/h4-6,10-11,14H,3,7-9H2,1-2H3,(H,17,18)(H,19,21)/t11?,14-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)		BDBM50083192
PNG
(1H-Benzoimidazole-4-carboxylic acid (1-aza-bicyclo...)
Show SMILES O=C(NC1CN2CCC1CC2)c1cccc2nc[nH]c12 |THB:2:3:9.10:7.6,(4.09,-2.08,;4.08,-3.62,;5.41,-4.39,;6.75,-3.64,;7.8,-4.64,;7.25,-2.85,;8.5,-1.48,;7.53,-.47,;6.32,-1.82,;5.26,-1.62,;5.91,-2.57,;2.74,-4.39,;1.41,-3.61,;.07,-4.38,;.07,-5.91,;1.4,-6.7,;1.71,-8.22,;3.25,-8.38,;3.88,-6.97,;2.74,-5.93,)|
Show InChI InChI=1S/C15H18N4O/c20-15(11-2-1-3-12-14(11)17-9-16-12)18-13-8-19-6-4-10(13)5-7-19/h1-3,9-10,13H,4-8H2,(H,16,17)(H,18,20)
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>1.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)		BDBM50083189
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid (9-me...)
Show SMILES CN1C2CCCC1CC(C2)NC(=O)c1cc(Cl)cc2nc[nH]c12 |THB:10:8:1:3.5.4|
Show InChI InChI=1S/C17H21ClN4O/c1-22-12-3-2-4-13(22)8-11(7-12)21-17(23)14-5-10(18)6-15-16(14)20-9-19-15/h5-6,9,11-13H,2-4,7-8H2,1H3,(H,19,20)(H,21,23)
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Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)		BDBM50083180
PNG
(1H-Benzoimidazole-4-carboxylic acid 8-methyl-8-aza...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)c1cccc2nc[nH]c12 |THB:9:7:1:3.4|
Show InChI InChI=1S/C16H19N3O2/c1-19-10-5-6-11(19)8-12(7-10)21-16(20)13-3-2-4-14-15(13)18-9-17-14/h2-4,9-12H,5-8H2,1H3,(H,17,18)
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>1.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Compound was evalated for its in vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay , using [3H]-LY 278584 in...

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)		BDBM50083178
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid 9-met...)
Show SMILES CN1C2CCCC1CC(C2)OC(=O)c1cc(Cl)cc2[nH]cnc12 |THB:10:8:1:3.5.4|
Show InChI InChI=1S/C17H20ClN3O2/c1-21-11-3-2-4-12(21)8-13(7-11)23-17(22)14-5-10(18)6-15-16(14)20-9-19-15/h5-6,9,11-13H,2-4,7-8H2,1H3,(H,19,20)
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Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(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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>1.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)		BDBM50083180
PNG
(1H-Benzoimidazole-4-carboxylic acid 8-methyl-8-aza...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)c1cccc2nc[nH]c12 |THB:9:7:1:3.4|
Show InChI InChI=1S/C16H19N3O2/c1-19-10-5-6-11(19)8-12(7-10)21-16(20)13-3-2-4-14-15(13)18-9-17-14/h2-4,9-12H,5-8H2,1H3,(H,17,18)
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>1.00E+3n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Compound was evalated for its in vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay , using [3H]-LY 278584 in...

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)		BDBM50083194
PNG
(6-Chloro-7-nitro-1H-benzoimidazole-4-carboxylic ac...)
Show SMILES [O-][N+](=O)c1c(Cl)cc(C(=O)NC2CN3CCC2CC3)c2[nH]cnc12 |(5.24,-8.26,;6.4,-9.09,;6.56,-10.59,;7.9,-8.3,;7.9,-6.75,;6.57,-5.96,;9.23,-5.98,;10.57,-6.75,;11.9,-5.96,;11.88,-4.43,;13.24,-6.72,;14.56,-5.94,;14.54,-7.49,;15.89,-6.71,;14.7,-5.26,;14.77,-4.17,;16.05,-5.55,;17.53,-5.93,;17.36,-7.1,;10.57,-8.3,;11.71,-9.32,;11.11,-10.73,;9.57,-10.59,;9.26,-9.09,)|
Show InChI InChI=1S/C15H16ClN5O3/c16-10-5-9(12-13(18-7-17-12)14(10)21(23)24)15(22)19-11-6-20-3-1-8(11)2-4-20/h5,7-8,11H,1-4,6H2,(H,17,18)(H,19,22)
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Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)		BDBM50083196
PNG
(6-Chloro-7-nitro-1H-benzoimidazole-4-carboxylic ac...)
Show SMILES [O-][N+](=O)c1c(Cl)cc(C(=O)N[C@@H]2CN3CCC2CC3)c2[nH]cnc12 |wU:11.10,(5.22,-8.23,;6.54,-9.02,;6.52,-10.56,;7.88,-8.27,;7.88,-6.72,;6.54,-5.94,;9.18,-5.96,;10.53,-6.72,;11.84,-5.94,;11.84,-4.41,;13.19,-6.7,;14.49,-5.92,;14.49,-7.46,;15.81,-6.68,;14.65,-5.24,;14.72,-4.16,;15.99,-5.53,;17.47,-5.91,;17.3,-7.08,;10.53,-8.27,;11.67,-9.29,;11.07,-10.7,;9.53,-10.56,;9.2,-9.06,)|
Show InChI InChI=1S/C15H16ClN5O3/c16-10-5-9(12-13(18-7-17-12)14(10)21(23)24)15(22)19-11-6-20-3-1-8(11)2-4-20/h5,7-8,11H,1-4,6H2,(H,17,18)(H,19,22)/t11-/m1/s1
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Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)		BDBM50083177
PNG
(1H-Benzoimidazole-4-carboxylic acid (8-methyl-8-az...)
Show SMILES CN1C2CCC1CC(C2)NC(=O)c1cccc2nc[nH]c12 |TLB:9:7:1:3.4|
Show InChI InChI=1S/C16H20N4O/c1-20-11-5-6-12(20)8-10(7-11)19-16(21)13-3-2-4-14-15(13)18-9-17-14/h2-4,9-12H,5-8H2,1H3,(H,17,18)(H,19,21)
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Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)		BDBM50083180
PNG
(1H-Benzoimidazole-4-carboxylic acid 8-methyl-8-aza...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)c1cccc2nc[nH]c12 |THB:9:7:1:3.4|
Show InChI InChI=1S/C16H19N3O2/c1-19-10-5-6-11(19)8-12(7-10)21-16(20)13-3-2-4-14-15(13)18-9-17-14/h2-4,9-12H,5-8H2,1H3,(H,17,18)
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Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)		BDBM50083198
PNG
(1H-Benzoimidazole-4-carboxylic acid ((R)-4-ethyl-1...)
Show SMILES CCC1CCN(C)C[C@@H]1NC(=O)c1cccc2nc[nH]c12
Show InChI InChI=1S/C16H22N4O/c1-3-11-7-8-20(2)9-14(11)19-16(21)12-5-4-6-13-15(12)18-10-17-13/h4-6,10-11,14H,3,7-9H2,1-2H3,(H,17,18)(H,19,21)/t11?,14-/m0/s1
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Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)		BDBM50083180
PNG
(1H-Benzoimidazole-4-carboxylic acid 8-methyl-8-aza...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)c1cccc2nc[nH]c12 |THB:9:7:1:3.4|
Show InChI InChI=1S/C16H19N3O2/c1-19-10-5-6-11(19)8-12(7-10)21-16(20)13-3-2-4-14-15(13)18-9-17-14/h2-4,9-12H,5-8H2,1H3,(H,17,18)
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Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)		BDBM50083179
PNG
(1H-Benzoimidazole-4-carboxylic acid 1-aza-bicyclo[...)
Show SMILES O=C(OC1CN2CCC1CC2)c1cccc2nc[nH]c12 |THB:2:3:9.10:7.6,(10.95,-8.9,;10.95,-10.44,;12.28,-11.21,;13.61,-10.44,;14.66,-11.44,;14.13,-9.66,;15.36,-8.29,;14.41,-7.28,;13.19,-8.62,;12.12,-8.41,;12.77,-9.39,;9.61,-11.2,;8.27,-10.42,;6.94,-11.19,;6.94,-12.73,;8.27,-13.51,;8.57,-15.03,;10.11,-15.19,;10.74,-13.78,;9.6,-12.74,)|
Show InChI InChI=1S/C15H17N3O2/c19-15(11-2-1-3-12-14(11)17-9-16-12)20-13-8-18-6-4-10(13)5-7-18/h1-3,9-10,13H,4-8H2,(H,16,17)
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Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)		BDBM50083181
PNG
(6-Bromo-7-nitro-1H-benzoimidazole-4-carboxylic aci...)
Show SMILES [O-][N+](=O)c1c(Br)cc(C(=O)NC2CN3CCC2CC3)c2[nH]cnc12 |(5.24,-8.3,;6.54,-8.93,;6.56,-10.6,;7.9,-8.3,;7.9,-6.75,;6.57,-5.96,;9.23,-5.98,;10.57,-6.75,;11.9,-5.96,;11.88,-4.43,;13.24,-6.72,;14.56,-5.94,;14.54,-7.49,;15.89,-6.71,;14.7,-5.26,;14.77,-4.17,;16.05,-5.55,;17.53,-5.93,;17.37,-7.1,;10.57,-8.3,;11.71,-9.32,;11.11,-10.73,;9.57,-10.59,;9.26,-9.09,)|
Show InChI InChI=1S/C15H16BrN5O3/c16-10-5-9(12-13(18-7-17-12)14(10)21(23)24)15(22)19-11-6-20-3-1-8(11)2-4-20/h5,7-8,11H,1-4,6H2,(H,17,18)(H,19,22)
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Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)		BDBM50083175
PNG
(1H-Benzoimidazole-4-carboxylic acid 9-methyl-9-aza...)
Show SMILES CN1C2CCCC1CC(C2)OC(=O)c1cccc2nc[nH]c12 |THB:10:8:1:3.5.4|
Show InChI InChI=1S/C17H21N3O2/c1-20-11-4-2-5-12(20)9-13(8-11)22-17(21)14-6-3-7-15-16(14)19-10-18-15/h3,6-7,10-13H,2,4-5,8-9H2,1H3,(H,18,19)
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Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)		BDBM50083190
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid (1-az...)
Show SMILES Clc1cc(C(=O)N[C@@H]2CN3CCC2CC3)c2[nH]cnc2c1 |wU:7.6,(6.26,-6.07,;7.6,-6.85,;8.93,-6.07,;10.26,-6.82,;11.6,-6.07,;11.57,-4.52,;12.93,-6.82,;14.25,-6.05,;14.25,-7.6,;15.57,-6.8,;14.39,-5.37,;14.46,-4.26,;15.75,-5.65,;17.23,-6.03,;17.07,-7.2,;10.26,-8.38,;11.41,-9.43,;10.8,-10.84,;9.27,-10.68,;8.94,-9.18,;7.6,-8.38,)|
Show InChI InChI=1S/C15H17ClN4O/c16-10-5-11(14-12(6-10)17-8-18-14)15(21)19-13-7-20-3-1-9(13)2-4-20/h5-6,8-9,13H,1-4,7H2,(H,17,18)(H,19,21)/t13-/m1/s1
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Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)		BDBM50083175
PNG
(1H-Benzoimidazole-4-carboxylic acid 9-methyl-9-aza...)
Show SMILES CN1C2CCCC1CC(C2)OC(=O)c1cccc2nc[nH]c12 |THB:10:8:1:3.5.4|
Show InChI InChI=1S/C17H21N3O2/c1-20-11-4-2-5-12(20)9-13(8-11)22-17(21)14-6-3-7-15-16(14)19-10-18-15/h3,6-7,10-13H,2,4-5,8-9H2,1H3,(H,18,19)
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Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)		BDBM50083187
PNG
(1H-Benzoimidazole-4-carboxylic acid (9-methyl-9-az...)
Show SMILES CN1C2CCCC1CC(C2)NC(=O)c1cccc2nc[nH]c12 |THB:10:8:1:3.5.4|
Show InChI InChI=1S/C17H22N4O/c1-21-12-4-2-5-13(21)9-11(8-12)20-17(22)14-6-3-7-15-16(14)19-10-18-15/h3,6-7,10-13H,2,4-5,8-9H2,1H3,(H,18,19)(H,20,22)
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Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)		BDBM50083187
PNG
(1H-Benzoimidazole-4-carboxylic acid (9-methyl-9-az...)
Show SMILES CN1C2CCCC1CC(C2)NC(=O)c1cccc2nc[nH]c12 |THB:10:8:1:3.5.4|
Show InChI InChI=1S/C17H22N4O/c1-21-12-4-2-5-13(21)9-11(8-12)20-17(22)14-6-3-7-15-16(14)19-10-18-15/h3,6-7,10-13H,2,4-5,8-9H2,1H3,(H,18,19)(H,20,22)
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Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 4 receptor by radioligand binding assay using [3H]GR-113808 in rat striatum membranes.

J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%