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Articleid 50034789

Compile data set for download or QSAR
Found 8 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)		BDBM50280507
PNG
(6-Amino-2-(R)-1-aza-bicyclo[2.2.2]oct-3-yl-benzo[d...)
Show SMILES Nc1ccc2C(=O)N([C@H]3CN4CCC3CC4)C(=O)c3cccc1c23 |wD:8.7,(4.27,-3.19,;5.81,-3.2,;6.51,-1.84,;8.05,-1.76,;8.86,-3.03,;10.43,-2.92,;11.1,-1.55,;11.27,-4.23,;12.8,-4.15,;13.62,-5.45,;15.16,-5.37,;15.86,-3.99,;15.02,-2.7,;13.48,-2.77,;13.88,-4.27,;14.88,-3.8,;10.54,-5.63,;11.41,-6.91,;9,-5.71,;8.31,-7.06,;6.77,-7.14,;5.93,-5.85,;6.65,-4.46,;8.17,-4.41,)|
Show InChI InChI=1S/C19H19N3O2/c20-15-5-4-14-17-12(15)2-1-3-13(17)18(23)22(19(14)24)16-10-21-8-6-11(16)7-9-21/h1-5,11,16H,6-10,20H2/t16-/m0/s1
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 0.150n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 3 receptor in rat entorhinal cortex using [3H]-BRL 43694 as radioligand

Bioorg Med Chem Lett 4: 945-948 (1994)


Article DOI: 10.1016/S0960-894X(01)80269-9
BindingDB Entry DOI: 10.7270/Q20V8D8T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(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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 0.200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 3 receptor in rat entorhinal cortex using [3H]-BRL 43694 as radioligand

Bioorg Med Chem Lett 4: 945-948 (1994)


Article DOI: 10.1016/S0960-894X(01)80269-9
BindingDB Entry DOI: 10.7270/Q20V8D8T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)		BDBM50366367
PNG
(CHEMBL1788272)
Show SMILES Nc1ccc2C(=O)N([C@H]3C[N+]4(CCl)CCC3CC4)C(=O)c3cccc1c23 |r,wD:8.7,(1.8,-11.08,;3.13,-10.3,;3.12,-8.75,;4.45,-7.98,;5.78,-8.74,;7.11,-7.96,;7.09,-6.43,;8.44,-8.73,;9.77,-7.96,;11.11,-8.73,;12.44,-7.96,;13.55,-9.03,;15.03,-8.61,;11.61,-6.65,;10.52,-7.75,;9.76,-6.41,;11.09,-5.64,;12.44,-6.41,;8.45,-10.27,;9.8,-11.04,;7.12,-11.06,;7.12,-12.59,;5.78,-13.36,;4.44,-12.59,;4.45,-11.04,;5.78,-10.27,)|
Show InChI InChI=1S/C20H20ClN3O2/c21-11-24-8-6-12(7-9-24)17(10-24)23-19(25)14-3-1-2-13-16(22)5-4-15(18(13)14)20(23)26/h1-5,12,17H,6-11H2,(H-,22,25,26)/p+1/t12?,17-,24?/m0/s1
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 0.350n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 3 receptor in rat entorhinal cortex using [3H]-BRL 43694 as radioligand

Bioorg Med Chem Lett 4: 945-948 (1994)


Article DOI: 10.1016/S0960-894X(01)80269-9
BindingDB Entry DOI: 10.7270/Q20V8D8T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)		BDBM50031475
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 |wU: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-/m0/s1
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 2.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 3 receptor in rat entorhinal cortex using [3H]-BRL 43694 as radioligand

Bioorg Med Chem Lett 4: 945-948 (1994)


Article DOI: 10.1016/S0960-894X(01)80269-9
BindingDB Entry DOI: 10.7270/Q20V8D8T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)		BDBM50366368
PNG
(CHEMBL1788271)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1C[N+]2(CCl)CCC1CC2 |r,wU:13.13,(5.37,-10.09,;5.37,-8.55,;4.02,-7.78,;2.69,-8.55,;1.36,-7.78,;.02,-8.55,;1.36,-6.23,;.03,-5.47,;2.69,-5.46,;4.02,-6.23,;5.35,-5.44,;5.35,-3.9,;6.7,-6.21,;8.03,-5.44,;9.36,-6.21,;10.69,-5.44,;11.79,-6.52,;13.28,-6.09,;10.69,-3.9,;9.34,-3.13,;8.01,-3.9,;8.77,-5.23,;9.85,-4.14,)|
Show InChI InChI=1S/C16H21Cl2N3O2/c1-23-15-7-13(19)12(18)6-11(15)16(22)20-14-8-21(9-17)4-2-10(14)3-5-21/h6-7,10,14H,2-5,8-9H2,1H3,(H2-,19,20,22)/p+1/t10?,14-,21?/m1/s1
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 15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 3 receptor in rat entorhinal cortex using [3H]-BRL 43694 as radioligand

Bioorg Med Chem Lett 4: 945-948 (1994)


Article DOI: 10.1016/S0960-894X(01)80269-9
BindingDB Entry DOI: 10.7270/Q20V8D8T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)		BDBM50450241
PNG
(CHEMBL2093061)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@H]1C[N+]2(CCl)CCC1CC2 |r,wD:13.13,(5.37,-10.09,;5.37,-8.55,;4.02,-7.78,;2.69,-8.55,;1.36,-7.78,;.02,-8.55,;1.36,-6.23,;.03,-5.47,;2.69,-5.46,;4.02,-6.23,;5.35,-5.44,;5.35,-3.9,;6.7,-6.21,;8.03,-5.44,;9.36,-6.21,;10.69,-5.44,;11.79,-6.52,;13.28,-6.09,;10.69,-3.9,;9.34,-3.13,;8.01,-3.9,;8.77,-5.23,;9.85,-4.14,)|
Show InChI InChI=1S/C16H21Cl2N3O2/c1-23-15-7-13(19)12(18)6-11(15)16(22)20-14-8-21(9-17)4-2-10(14)3-5-21/h6-7,10,14H,2-5,8-9H2,1H3,(H2-,19,20,22)/p+1/t10?,14-,21?/m0/s1
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 20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 3 receptor in rat entorhinal cortex using [3H]-BRL 43694 as radioligand

Bioorg Med Chem Lett 4: 945-948 (1994)


Article DOI: 10.1016/S0960-894X(01)80269-9
BindingDB Entry DOI: 10.7270/Q20V8D8T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)		BDBM50280500
PNG
(6-Amino-2-(S)-1-aza-bicyclo[2.2.2]oct-3-yl-benzo[d...)
Show SMILES Nc1ccc2C(=O)N([C@@H]3CN4CCC3CC4)C(=O)c3cccc1c23 |wU:8.7,(4.27,-3.32,;5.81,-3.24,;6.5,-1.87,;8.04,-1.79,;8.86,-3.06,;10.42,-2.96,;11.1,-1.58,;11.26,-4.26,;12.79,-4.18,;13.62,-5.48,;15.16,-5.41,;15.86,-4.02,;15.01,-2.73,;13.47,-2.8,;13.87,-4.3,;14.88,-3.83,;10.54,-5.66,;11.4,-6.94,;9,-5.74,;8.3,-7.09,;6.77,-7.18,;5.93,-5.88,;6.64,-4.5,;8.16,-4.44,)|
Show InChI InChI=1S/C19H19N3O2/c20-15-5-4-14-17-12(15)2-1-3-13(17)18(23)22(19(14)24)16-10-21-8-6-11(16)7-9-21/h1-5,11,16H,6-10,20H2/t16-/m1/s1
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 24n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 3 receptor in rat entorhinal cortex using [3H]-BRL 43694 as radioligand

Bioorg Med Chem Lett 4: 945-948 (1994)


Article DOI: 10.1016/S0960-894X(01)80269-9
BindingDB Entry DOI: 10.7270/Q20V8D8T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)		BDBM50366369
PNG
(CHEMBL1744070)
Show SMILES Nc1ccc2C(=O)N([C@@H]3C[N+]4(CCl)CCC3CC4)C(=O)c3cccc1c23 |r,wU:8.7,(1.8,-11.08,;3.13,-10.3,;3.12,-8.75,;4.45,-7.98,;5.78,-8.74,;7.11,-7.96,;7.09,-6.43,;8.44,-8.73,;9.77,-7.96,;11.11,-8.73,;12.44,-7.96,;13.55,-9.03,;15.03,-8.61,;11.61,-6.65,;10.52,-7.75,;9.76,-6.41,;11.09,-5.64,;12.44,-6.41,;8.45,-10.27,;9.8,-11.04,;7.12,-11.06,;7.12,-12.59,;5.78,-13.36,;4.44,-12.59,;4.45,-11.04,;5.78,-10.27,)|
Show InChI InChI=1S/C20H20ClN3O2/c21-11-24-8-6-12(7-9-24)17(10-24)23-19(25)14-3-1-2-13-16(22)5-4-15(18(13)14)20(23)26/h1-5,12,17H,6-11H2,(H-,22,25,26)/p+1/t12?,17-,24?/m1/s1
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 328n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 3 receptor in rat entorhinal cortex using [3H]-BRL 43694 as radioligand

Bioorg Med Chem Lett 4: 945-948 (1994)


Article DOI: 10.1016/S0960-894X(01)80269-9
BindingDB Entry DOI: 10.7270/Q20V8D8T
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%