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Articleid 50029985

Compile data set for download or QSAR
Found 21 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


(Homo sapiens (Human))		BDBM50289986
PNG
(4-Amino-N-(1-aza-tricyclo[3.3.1.0*3,7*]non-4-yl)-5...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1C2CC3CN(CC13)C2 |THB:17:16:13:18.19.21,15:16:19:13.14.21|
Show InChI InChI=1S/C16H20ClN3O2/c1-22-14-4-13(18)12(17)3-10(14)16(21)19-15-9-2-8-5-20(6-9)7-11(8)15/h3-4,8-9,11,15H,2,5-7,18H2,1H3,(H,19,21)
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Article
 1.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity for the 5-hydroxytryptamine 3 receptor

Bioorg Med Chem Lett 7: 2149-2154 (1997)


Article DOI: 10.1016/S0960-894X(97)00408-3
BindingDB Entry DOI: 10.7270/Q27S7NSJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)		BDBM50289985
PNG
(4-Amino-N-(1-aza-tricyclo[3.3.1.0*3,7*]non-5-ylmet...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC12CC3CN(CC3C1)C2 |TLB:17:18:21:16.15,THB:17:16:21:18.19.22,(-.07,-20.11,;-.07,-18.57,;-1.4,-17.81,;-2.73,-18.58,;-4.06,-17.81,;-5.41,-18.58,;-4.06,-16.26,;-5.39,-15.5,;-2.73,-15.49,;-1.4,-16.26,;-.07,-15.48,;-.09,-13.94,;1.27,-16.25,;2.6,-15.48,;3.93,-16.25,;5.18,-17.23,;5.49,-18.81,;6.09,-17.5,;5.41,-16.32,;3.59,-17.27,;2.99,-18.58,;2.62,-16.99,;4.91,-14.71,)|
Show InChI InChI=1S/C17H22ClN3O2/c1-23-15-3-14(19)13(18)2-12(15)16(22)20-8-17-4-10-6-21(9-17)7-11(10)5-17/h2-3,10-11H,4-9,19H2,1H3,(H,20,22)
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 5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity against serotonin 5-HT4 receptor in rat tunica muscularis mucosae assay

Bioorg Med Chem Lett 7: 2149-2154 (1997)


Article DOI: 10.1016/S0960-894X(97)00408-3
BindingDB Entry DOI: 10.7270/Q27S7NSJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A/2B/2C


(Homo sapiens (Human))		BDBM50289986
PNG
(4-Amino-N-(1-aza-tricyclo[3.3.1.0*3,7*]non-4-yl)-5...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1C2CC3CN(CC13)C2 |THB:17:16:13:18.19.21,15:16:19:13.14.21|
Show InChI InChI=1S/C16H20ClN3O2/c1-22-14-4-13(18)12(17)3-10(14)16(21)19-15-9-2-8-5-20(6-9)7-11(8)15/h3-4,8-9,11,15H,2,5-7,18H2,1H3,(H,19,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against 5-hydroxytryptamine 2 receptor

Bioorg Med Chem Lett 7: 2149-2154 (1997)


Article DOI: 10.1016/S0960-894X(97)00408-3
BindingDB Entry DOI: 10.7270/Q27S7NSJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)		BDBM50289986
PNG
(4-Amino-N-(1-aza-tricyclo[3.3.1.0*3,7*]non-4-yl)-5...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1C2CC3CN(CC13)C2 |THB:17:16:13:18.19.21,15:16:19:13.14.21|
Show InChI InChI=1S/C16H20ClN3O2/c1-22-14-4-13(18)12(17)3-10(14)16(21)19-15-9-2-8-5-20(6-9)7-11(8)15/h3-4,8-9,11,15H,2,5-7,18H2,1H3,(H,19,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against Muscarinic acetylcholine receptor

Bioorg Med Chem Lett 7: 2149-2154 (1997)


Article DOI: 10.1016/S0960-894X(97)00408-3
BindingDB Entry DOI: 10.7270/Q27S7NSJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50289985
PNG
(4-Amino-N-(1-aza-tricyclo[3.3.1.0*3,7*]non-5-ylmet...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC12CC3CN(CC3C1)C2 |TLB:17:18:21:16.15,THB:17:16:21:18.19.22,(-.07,-20.11,;-.07,-18.57,;-1.4,-17.81,;-2.73,-18.58,;-4.06,-17.81,;-5.41,-18.58,;-4.06,-16.26,;-5.39,-15.5,;-2.73,-15.49,;-1.4,-16.26,;-.07,-15.48,;-.09,-13.94,;1.27,-16.25,;2.6,-15.48,;3.93,-16.25,;5.18,-17.23,;5.49,-18.81,;6.09,-17.5,;5.41,-16.32,;3.59,-17.27,;2.99,-18.58,;2.62,-16.99,;4.91,-14.71,)|
Show InChI InChI=1S/C17H22ClN3O2/c1-23-15-3-14(19)13(18)2-12(15)16(22)20-8-17-4-10-6-21(9-17)7-11(10)5-17/h2-3,10-11H,4-9,19H2,1H3,(H,20,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was selective withrespect to binding at the Dopamine receptor D2

Bioorg Med Chem Lett 7: 2149-2154 (1997)


Article DOI: 10.1016/S0960-894X(97)00408-3
BindingDB Entry DOI: 10.7270/Q27S7NSJ
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]


(Rattus norvegicus (rat))		BDBM50289986
PNG
(4-Amino-N-(1-aza-tricyclo[3.3.1.0*3,7*]non-4-yl)-5...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1C2CC3CN(CC13)C2 |THB:17:16:13:18.19.21,15:16:19:13.14.21|
Show InChI InChI=1S/C16H20ClN3O2/c1-22-14-4-13(18)12(17)3-10(14)16(21)19-15-9-2-8-5-20(6-9)7-11(8)15/h3-4,8-9,11,15H,2,5-7,18H2,1H3,(H,19,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against adrenergic alpha-2 receptor

Bioorg Med Chem Lett 7: 2149-2154 (1997)


Article DOI: 10.1016/S0960-894X(97)00408-3
BindingDB Entry DOI: 10.7270/Q27S7NSJ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50289986
PNG
(4-Amino-N-(1-aza-tricyclo[3.3.1.0*3,7*]non-4-yl)-5...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1C2CC3CN(CC13)C2 |THB:17:16:13:18.19.21,15:16:19:13.14.21|
Show InChI InChI=1S/C16H20ClN3O2/c1-22-14-4-13(18)12(17)3-10(14)16(21)19-15-9-2-8-5-20(6-9)7-11(8)15/h3-4,8-9,11,15H,2,5-7,18H2,1H3,(H,19,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against Dopamine D1 receptor

Bioorg Med Chem Lett 7: 2149-2154 (1997)


Article DOI: 10.1016/S0960-894X(97)00408-3
BindingDB Entry DOI: 10.7270/Q27S7NSJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50289986
PNG
(4-Amino-N-(1-aza-tricyclo[3.3.1.0*3,7*]non-4-yl)-5...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1C2CC3CN(CC13)C2 |THB:17:16:13:18.19.21,15:16:19:13.14.21|
Show InChI InChI=1S/C16H20ClN3O2/c1-22-14-4-13(18)12(17)3-10(14)16(21)19-15-9-2-8-5-20(6-9)7-11(8)15/h3-4,8-9,11,15H,2,5-7,18H2,1H3,(H,19,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against Dopamine D2 receptor

Bioorg Med Chem Lett 7: 2149-2154 (1997)


Article DOI: 10.1016/S0960-894X(97)00408-3
BindingDB Entry DOI: 10.7270/Q27S7NSJ
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50289986
PNG
(4-Amino-N-(1-aza-tricyclo[3.3.1.0*3,7*]non-4-yl)-5...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1C2CC3CN(CC13)C2 |THB:17:16:13:18.19.21,15:16:19:13.14.21|
Show InChI InChI=1S/C16H20ClN3O2/c1-22-14-4-13(18)12(17)3-10(14)16(21)19-15-9-2-8-5-20(6-9)7-11(8)15/h3-4,8-9,11,15H,2,5-7,18H2,1H3,(H,19,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against Tachykinin receptor 1

Bioorg Med Chem Lett 7: 2149-2154 (1997)


Article DOI: 10.1016/S0960-894X(97)00408-3
BindingDB Entry DOI: 10.7270/Q27S7NSJ
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50289986
PNG
(4-Amino-N-(1-aza-tricyclo[3.3.1.0*3,7*]non-4-yl)-5...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1C2CC3CN(CC13)C2 |THB:17:16:13:18.19.21,15:16:19:13.14.21|
Show InChI InChI=1S/C16H20ClN3O2/c1-22-14-4-13(18)12(17)3-10(14)16(21)19-15-9-2-8-5-20(6-9)7-11(8)15/h3-4,8-9,11,15H,2,5-7,18H2,1H3,(H,19,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against Beta adrenergic receptor

Bioorg Med Chem Lett 7: 2149-2154 (1997)


Article DOI: 10.1016/S0960-894X(97)00408-3
BindingDB Entry DOI: 10.7270/Q27S7NSJ
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50289986
PNG
(4-Amino-N-(1-aza-tricyclo[3.3.1.0*3,7*]non-4-yl)-5...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1C2CC3CN(CC13)C2 |THB:17:16:13:18.19.21,15:16:19:13.14.21|
Show InChI InChI=1S/C16H20ClN3O2/c1-22-14-4-13(18)12(17)3-10(14)16(21)19-15-9-2-8-5-20(6-9)7-11(8)15/h3-4,8-9,11,15H,2,5-7,18H2,1H3,(H,19,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against adrenergic alpha-1 receptor

Bioorg Med Chem Lett 7: 2149-2154 (1997)


Article DOI: 10.1016/S0960-894X(97)00408-3
BindingDB Entry DOI: 10.7270/Q27S7NSJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)		BDBM50289991
PNG
(4-Amino-N-[2-(1-aza-tricyclo[3.3.1.0*3,7*]non-5-yl...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCCC12CC3CN(CC3C1)C2 |THB:14:15:18:21.20,22:15:18:21.20,22:21:18:15.16.23,(-.07,-20.15,;-.07,-18.61,;-1.4,-17.85,;-2.74,-18.62,;-4.07,-17.85,;-5.42,-18.62,;-4.07,-16.3,;-5.4,-15.53,;-2.74,-15.53,;-1.4,-16.3,;-.07,-15.51,;-.09,-13.97,;1.27,-16.28,;2.6,-15.51,;3.94,-16.28,;5.27,-15.51,;6.77,-15,;8.29,-15.58,;7.49,-14.38,;6.01,-14.32,;5.95,-16.37,;6.73,-17.58,;5.19,-17.03,;4.5,-13.85,)|
Show InChI InChI=1S/C18H24ClN3O2/c1-24-16-5-15(20)14(19)4-13(16)17(23)21-3-2-18-6-11-8-22(10-18)9-12(11)7-18/h4-5,11-12H,2-3,6-10,20H2,1H3,(H,21,23)
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n/an/an/an/a 1.66E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity against serotonin 5-HT4 receptor in rat tunica muscularis mucosae assay

Bioorg Med Chem Lett 7: 2149-2154 (1997)


Article DOI: 10.1016/S0960-894X(97)00408-3
BindingDB Entry DOI: 10.7270/Q27S7NSJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)		BDBM50289987
PNG
(4-Acetylamino-N-(3-aza-tricyclo[3.3.1.0*3,7*]non-9...)
Show SMILES COc1cc(NC(C)=O)c(Cl)cc1C(=O)NCC1C2CC3CC1CN3C2 |TLB:21:22:25:20.19,THB:21:20:22.17.23:25,16:17:25:20.19,(2.38,-9.5,;2.38,-7.96,;1.05,-7.19,;-.28,-7.96,;-1.61,-7.19,;-2.94,-7.96,;-4.27,-7.19,;-5.62,-7.96,;-4.27,-5.65,;-1.61,-5.65,;-2.94,-4.88,;-.28,-4.88,;1.05,-5.65,;2.38,-4.88,;2.38,-3.34,;3.72,-5.65,;5.05,-4.88,;6.39,-5.65,;7.68,-4.37,;9.24,-5.19,;10.65,-4.88,;9.59,-6.12,;8.21,-5.51,;8.24,-3.93,;9.33,-2.74,;7.93,-3.04,)|
Show InChI InChI=1S/C19H24ClN3O3/c1-10(24)22-17-6-18(26-2)14(5-16(17)20)19(25)21-7-15-11-3-13-4-12(15)9-23(13)8-11/h5-6,11-13,15H,3-4,7-9H2,1-2H3,(H,21,25)(H,22,24)
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n/an/an/an/a>1.00E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity against serotonin 5-HT4 receptor in rat tunica muscularis mucosae assay

Bioorg Med Chem Lett 7: 2149-2154 (1997)


Article DOI: 10.1016/S0960-894X(97)00408-3
BindingDB Entry DOI: 10.7270/Q27S7NSJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)		BDBM50289986
PNG
(4-Amino-N-(1-aza-tricyclo[3.3.1.0*3,7*]non-4-yl)-5...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1C2CC3CN(CC13)C2 |THB:17:16:13:18.19.21,15:16:19:13.14.21|
Show InChI InChI=1S/C16H20ClN3O2/c1-22-14-4-13(18)12(17)3-10(14)16(21)19-15-9-2-8-5-20(6-9)7-11(8)15/h3-4,8-9,11,15H,2,5-7,18H2,1H3,(H,19,21)
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n/an/an/an/a 51n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity against serotonin 5-HT4 receptor in rat tunica muscularis mucosae assay

Bioorg Med Chem Lett 7: 2149-2154 (1997)


Article DOI: 10.1016/S0960-894X(97)00408-3
BindingDB Entry DOI: 10.7270/Q27S7NSJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)		BDBM50289988
PNG
(4-Acetylamino-N-(3-aza-tricyclo[3.3.1.0*3,7*]non-9...)
Show SMILES COc1cc(NC(C)=O)c(Cl)cc1C(=O)NC1C2CC3CC1CN3C2 |TLB:18:17:22:19.20,18:19:17.16.24:22,THB:15:16:22:19.20,(22.01,-9.95,;22.01,-8.41,;20.68,-7.64,;19.35,-8.41,;18.02,-7.64,;16.69,-8.41,;15.36,-7.64,;14.02,-8.41,;15.36,-6.1,;18.02,-6.1,;16.69,-5.33,;19.35,-5.33,;20.68,-6.1,;22.01,-5.32,;22.01,-3.78,;23.36,-6.09,;24.69,-5.32,;26.51,-5.19,;27.89,-5.79,;28.94,-4.56,;27.53,-4.85,;25.99,-4.04,;26.23,-2.71,;27.63,-2.4,;26.55,-3.6,)|
Show InChI InChI=1S/C18H22ClN3O3/c1-9(23)20-15-6-16(25-2)13(5-14(15)19)18(24)21-17-10-3-12-4-11(17)8-22(12)7-10/h5-6,10-12,17H,3-4,7-8H2,1-2H3,(H,20,23)(H,21,24)
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n/an/an/an/a>1.00E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity against serotonin 5-HT4 receptor in rat tunica muscularis mucosae assay

Bioorg Med Chem Lett 7: 2149-2154 (1997)


Article DOI: 10.1016/S0960-894X(97)00408-3
BindingDB Entry DOI: 10.7270/Q27S7NSJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)		BDBM50289990
PNG
(4-Amino-N-(3-aza-tricyclo[3.3.1.0*3,7*]non-9-ylmet...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1C2CC3CC1CN3C2 |TLB:18:19:22:17.16,THB:13:14:22:17.16,18:17:19.14.20:22,(9.31,-20.17,;9.31,-18.63,;7.98,-17.87,;6.65,-18.64,;5.32,-17.87,;3.97,-18.64,;5.32,-16.33,;3.97,-15.56,;6.65,-15.55,;7.98,-16.32,;9.31,-15.55,;9.29,-14.01,;10.65,-16.32,;11.98,-15.55,;13.31,-16.32,;14.61,-15.05,;16.15,-15.85,;17.58,-15.55,;16.52,-16.8,;15.13,-16.18,;15.17,-14.59,;16.26,-13.4,;14.85,-13.7,)|
Show InChI InChI=1S/C17H22ClN3O2/c1-23-16-5-15(19)14(18)4-12(16)17(22)20-6-13-9-2-11-3-10(13)8-21(11)7-9/h4-5,9-11,13H,2-3,6-8,19H2,1H3,(H,20,22)
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n/an/an/an/a 660n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity against serotonin 5-HT4 receptor in rat tunica muscularis mucosae assay

Bioorg Med Chem Lett 7: 2149-2154 (1997)


Article DOI: 10.1016/S0960-894X(97)00408-3
BindingDB Entry DOI: 10.7270/Q27S7NSJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)		BDBM50289989
PNG
(4-Amino-N-(3-aza-tricyclo[3.3.1.0*3,7*]non-9-yl)-5...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1C2CC3CC1CN3C2 |TLB:17:18:21:16.15,17:16:21:18.13.19,THB:12:13:21:16.15,(6.26,-9.89,;6.26,-8.35,;4.93,-7.59,;3.61,-8.36,;2.28,-7.59,;.94,-8.36,;2.28,-6.05,;.95,-5.29,;3.61,-5.28,;4.93,-6.05,;6.26,-5.27,;6.24,-3.73,;7.59,-6.03,;8.92,-5.27,;10.22,-4.01,;11.76,-4.8,;13.17,-4.51,;12.11,-5.76,;10.74,-5.14,;10.78,-3.56,;11.87,-2.36,;10.46,-2.68,)|
Show InChI InChI=1S/C16H20ClN3O2/c1-22-14-5-13(18)12(17)4-11(14)16(21)19-15-8-2-10-3-9(15)7-20(10)6-8/h4-5,8-10,15H,2-3,6-7,18H2,1H3,(H,19,21)
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n/an/an/an/a 382n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity against serotonin 5-HT4 receptor in rat tunica muscularis mucosae assay

Bioorg Med Chem Lett 7: 2149-2154 (1997)


Article DOI: 10.1016/S0960-894X(97)00408-3
BindingDB Entry DOI: 10.7270/Q27S7NSJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)		BDBM50289985
PNG
(4-Amino-N-(1-aza-tricyclo[3.3.1.0*3,7*]non-5-ylmet...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC12CC3CN(CC3C1)C2 |TLB:17:18:21:16.15,THB:17:16:21:18.19.22,(-.07,-20.11,;-.07,-18.57,;-1.4,-17.81,;-2.73,-18.58,;-4.06,-17.81,;-5.41,-18.58,;-4.06,-16.26,;-5.39,-15.5,;-2.73,-15.49,;-1.4,-16.26,;-.07,-15.48,;-.09,-13.94,;1.27,-16.25,;2.6,-15.48,;3.93,-16.25,;5.18,-17.23,;5.49,-18.81,;6.09,-17.5,;5.41,-16.32,;3.59,-17.27,;2.99,-18.58,;2.62,-16.99,;4.91,-14.71,)|
Show InChI InChI=1S/C17H22ClN3O2/c1-23-15-3-14(19)13(18)2-12(15)16(22)20-8-17-4-10-6-21(9-17)7-11(10)5-17/h2-3,10-11H,4-9,19H2,1H3,(H,20,22)
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n/an/an/an/a 217n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity against serotonin 5-HT4 receptor in rat tunica muscularis mucosae assay

Bioorg Med Chem Lett 7: 2149-2154 (1997)


Article DOI: 10.1016/S0960-894X(97)00408-3
BindingDB Entry DOI: 10.7270/Q27S7NSJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)		BDBM50289989
PNG
(4-Amino-N-(3-aza-tricyclo[3.3.1.0*3,7*]non-9-yl)-5...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1C2CC3CC1CN3C2 |TLB:17:18:21:16.15,17:16:21:18.13.19,THB:12:13:21:16.15,(6.26,-9.89,;6.26,-8.35,;4.93,-7.59,;3.61,-8.36,;2.28,-7.59,;.94,-8.36,;2.28,-6.05,;.95,-5.29,;3.61,-5.28,;4.93,-6.05,;6.26,-5.27,;6.24,-3.73,;7.59,-6.03,;8.92,-5.27,;10.22,-4.01,;11.76,-4.8,;13.17,-4.51,;12.11,-5.76,;10.74,-5.14,;10.78,-3.56,;11.87,-2.36,;10.46,-2.68,)|
Show InChI InChI=1S/C16H20ClN3O2/c1-22-14-5-13(18)12(17)4-11(14)16(21)19-15-8-2-10-3-9(15)7-20(10)6-8/h4-5,8-10,15H,2-3,6-7,18H2,1H3,(H,19,21)
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n/an/an/an/a 382n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity for the 5-hydroxytryptamine 3 receptor

Bioorg Med Chem Lett 7: 2149-2154 (1997)


Article DOI: 10.1016/S0960-894X(97)00408-3
BindingDB Entry DOI: 10.7270/Q27S7NSJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)		BDBM50289990
PNG
(4-Amino-N-(3-aza-tricyclo[3.3.1.0*3,7*]non-9-ylmet...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1C2CC3CC1CN3C2 |TLB:18:19:22:17.16,THB:13:14:22:17.16,18:17:19.14.20:22,(9.31,-20.17,;9.31,-18.63,;7.98,-17.87,;6.65,-18.64,;5.32,-17.87,;3.97,-18.64,;5.32,-16.33,;3.97,-15.56,;6.65,-15.55,;7.98,-16.32,;9.31,-15.55,;9.29,-14.01,;10.65,-16.32,;11.98,-15.55,;13.31,-16.32,;14.61,-15.05,;16.15,-15.85,;17.58,-15.55,;16.52,-16.8,;15.13,-16.18,;15.17,-14.59,;16.26,-13.4,;14.85,-13.7,)|
Show InChI InChI=1S/C17H22ClN3O2/c1-23-16-5-15(19)14(18)4-12(16)17(22)20-6-13-9-2-11-3-10(13)8-21(11)7-9/h4-5,9-11,13H,2-3,6-8,19H2,1H3,(H,20,22)
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n/an/an/an/a 660n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity against serotonin 5-HT4 receptor in rat tunica muscularis mucosae assay

Bioorg Med Chem Lett 7: 2149-2154 (1997)


Article DOI: 10.1016/S0960-894X(97)00408-3
BindingDB Entry DOI: 10.7270/Q27S7NSJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)		BDBM50289988
PNG
(4-Acetylamino-N-(3-aza-tricyclo[3.3.1.0*3,7*]non-9...)
Show SMILES COc1cc(NC(C)=O)c(Cl)cc1C(=O)NC1C2CC3CC1CN3C2 |TLB:18:17:22:19.20,18:19:17.16.24:22,THB:15:16:22:19.20,(22.01,-9.95,;22.01,-8.41,;20.68,-7.64,;19.35,-8.41,;18.02,-7.64,;16.69,-8.41,;15.36,-7.64,;14.02,-8.41,;15.36,-6.1,;18.02,-6.1,;16.69,-5.33,;19.35,-5.33,;20.68,-6.1,;22.01,-5.32,;22.01,-3.78,;23.36,-6.09,;24.69,-5.32,;26.51,-5.19,;27.89,-5.79,;28.94,-4.56,;27.53,-4.85,;25.99,-4.04,;26.23,-2.71,;27.63,-2.4,;26.55,-3.6,)|
Show InChI InChI=1S/C18H22ClN3O3/c1-9(23)20-15-6-16(25-2)13(5-14(15)19)18(24)21-17-10-3-12-4-11(17)8-22(12)7-10/h5-6,10-12,17H,3-4,7-8H2,1-2H3,(H,20,23)(H,21,24)
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n/an/an/an/a 3.34E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity against serotonin 5-HT4 receptor in rat tunica muscularis mucosae assay

Bioorg Med Chem Lett 7: 2149-2154 (1997)


Article DOI: 10.1016/S0960-894X(97)00408-3
BindingDB Entry DOI: 10.7270/Q27S7NSJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%