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8 similar compounds to monomer 50282059

Compile data set for download or QSAR
Wt: 321.4
BDBM85257
Wt: 230.3
BDBM50161751
Wt: 306.3
BDBM50280497
Wt: 292.3
BDBM50280499
Wt: 292.3
BDBM50280506
Wt: 306.3
BDBM50280509
Wt: 230.3
BDBM50282049
Purchase
Wt: 280.3
BDBM50282060

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 85257,50161751,50280497,50280499,50280506,50280509,50282049,50282060   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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)
BDBM50280497
PNG
((R)-2-(1-Aza-bicyclo[2.2.2]oct-3-yl)-benzo[de]isoq...)
Show SMILES O=C1N([C@H]2CN3CCC2CC3)C(=O)c2cccc3cccc1c23
Show InChI InChI=1S/C19H18N2O2/c22-18-14-5-1-3-13-4-2-6-15(17(13)14)19(23)21(18)16-11-20-9-7-12(16)8-10-20/h1-6,12,16H,7-11H2/t16-/m0/s1
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Article
0.900n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for the antagonistic activity against Serotonin 5-hydroxytryptamine 3 receptor in isolated perfused rabbit heart (RH)


Bioorg Med Chem Lett 2: 691-694 (1992)


Article DOI: 10.1016/S0960-894X(00)80392-3
BindingDB Entry DOI: 10.7270/Q2B85814
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50280499
PNG
((S)-2-(1-Aza-bicyclo[2.2.2]oct-3-yl)-2,3-dihydro-b...)
Show SMILES O=C1N(Cc2cccc3cccc1c23)[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C19H20N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h1-6,13,17H,7-12H2/t17-/m1/s1
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Article
2.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for the antagonistic activity against 5-hydroxytryptamine 3 receptor in isolated rabbit vagus nerve (RVN)


Bioorg Med Chem Lett 2: 691-694 (1992)


Article DOI: 10.1016/S0960-894X(00)80392-3
BindingDB Entry DOI: 10.7270/Q2B85814
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50280506
PNG
((R)-2-(1-Aza-bicyclo[2.2.2]oct-3-yl)-2,3-dihydro-b...)
Show SMILES O=C1N(Cc2cccc3cccc1c23)[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C19H20N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h1-6,13,17H,7-12H2/t17-/m0/s1
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Article
2.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic activity against Serotonin 5-hydroxytryptamine 3 receptor of isolated guinea pig ileum (GPI)


Bioorg Med Chem Lett 2: 691-694 (1992)


Article DOI: 10.1016/S0960-894X(00)80392-3
BindingDB Entry DOI: 10.7270/Q2B85814
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50280497
PNG
((R)-2-(1-Aza-bicyclo[2.2.2]oct-3-yl)-benzo[de]isoq...)
Show SMILES O=C1N([C@H]2CN3CCC2CC3)C(=O)c2cccc3cccc1c23
Show InChI InChI=1S/C19H18N2O2/c22-18-14-5-1-3-13-4-2-6-15(17(13)14)19(23)21(18)16-11-20-9-7-12(16)8-10-20/h1-6,12,16H,7-11H2/t16-/m0/s1
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Article
2.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for the antagonistic activity against 5-hydroxytryptamine 3 receptor in isolated perfused rabbit heart (RH)


Bioorg Med Chem Lett 2: 691-694 (1992)


Article DOI: 10.1016/S0960-894X(00)80392-3
BindingDB Entry DOI: 10.7270/Q2B85814
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50282060
PNG
(CHEMBL290730 | N-[(3S)-1-azabicyclo[2.2.2]oct-3-yl...)
Show SMILES O=C(N[C@@H]1CN2CCC1CC2)c1cccc2ccccc12
Show InChI InChI=1S/C18H20N2O/c21-18(19-17-12-20-10-8-14(17)9-11-20)16-7-3-5-13-4-1-2-6-15(13)16/h1-7,14,17H,8-12H2,(H,19,21)/t17-/m1/s1
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Article
32n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 3 receptor in rat entorhinal cortex by [3H]-BRL-43694 displacement.


Bioorg Med Chem Lett 3: 1555-1558 (1993)


Article DOI: 10.1016/S0960-894X(00)80017-7
BindingDB Entry DOI: 10.7270/Q2J38SHW
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50280509
PNG
((S)-2-(1-Aza-bicyclo[2.2.2]oct-3-yl)-benzo[de]isoq...)
Show SMILES O=C1N([C@@H]2CN3CCC2CC3)C(=O)c2cccc3cccc1c23
Show InChI InChI=1S/C19H18N2O2/c22-18-14-5-1-3-13-4-2-6-15(17(13)14)19(23)21(18)16-11-20-9-7-12(16)8-10-20/h1-6,12,16H,7-11H2/t16-/m1/s1
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Article
61n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic activity against Serotonin 5-hydroxytryptamine 3 receptor in isolated rabbit vagus nerve (RVN)


Bioorg Med Chem Lett 2: 691-694 (1992)


Article DOI: 10.1016/S0960-894X(00)80392-3
BindingDB Entry DOI: 10.7270/Q2B85814
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50282049
PNG
((S)-N-(1-Aza-bicyclo[2.2.2]oct-3-yl)-benzamide | C...)
Show SMILES O=C(N[C@@H]1CN2CCC1CC2)c1ccccc1
Show InChI InChI=1S/C14H18N2O/c17-14(12-4-2-1-3-5-12)15-13-10-16-8-6-11(13)7-9-16/h1-5,11,13H,6-10H2,(H,15,17)/t13-/m1/s1
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CHEMBL
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Article
147n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 3 receptor in rat entorhinal cortex by [3H]-BRL-43694 displacement.


Bioorg Med Chem Lett 3: 1555-1558 (1993)


Article DOI: 10.1016/S0960-894X(00)80017-7
BindingDB Entry DOI: 10.7270/Q2J38SHW
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50161751
PNG
((R)-N-(1-Aza-bicyclo[2.2.2]oct-3-yl)-benzamide | C...)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1ccccc1
Show InChI InChI=1S/C14H18N2O/c17-14(12-4-2-1-3-5-12)15-13-10-16-8-6-11(13)7-9-16/h1-5,11,13H,6-10H2,(H,15,17)/t13-/m0/s1
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Article
1.89E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 3 receptor in rat entorhinal cortex by [3H]-BRL-43694 displacement.


Bioorg Med Chem Lett 3: 1555-1558 (1993)


Article DOI: 10.1016/S0960-894X(00)80017-7
BindingDB Entry DOI: 10.7270/Q2J38SHW
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM85257
PNG
((R)-N-Benzyl-3-benzamidoquinuclidinium bromide, 11...)
Show SMILES O=C(NC1C[N+]2(Cc3ccccc3)CCC1CC2)c1ccccc1
Show InChI InChI=1S/C21H24N2O/c24-21(19-9-5-2-6-10-19)22-20-16-23(13-11-18(20)12-14-23)15-17-7-3-1-4-8-17/h1-10,18,20H,11-16H2/p+1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
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Article
PubMed
3.70E+3 -7.78n/an/an/an/an/an/a40



University of Zagreb



Assay Description
Butyrylcholinesterase type IV-S, lyophilized from horse serum (sigma Chemical Co.) was used without further purification. HPLC analyses (Thermo Sepa...


Bioorg Chem 34: 90-8 (2006)


Article DOI: 10.1016/j.bioorg.2006.01.004
BindingDB Entry DOI: 10.7270/Q2SB448Z
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM85257
PNG
((R)-N-Benzyl-3-benzamidoquinuclidinium bromide, 11...)
Show SMILES O=C(NC1C[N+]2(Cc3ccccc3)CCC1CC2)c1ccccc1
Show InChI InChI=1S/C21H24N2O/c24-21(19-9-5-2-6-10-19)22-20-16-23(13-11-18(20)12-14-23)15-17-7-3-1-4-8-17/h1-10,18,20H,11-16H2/p+1
PDB
MMDB

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Article
PubMed
2.59E+4 -6.57n/an/an/an/an/an/a40



University of Zagreb



Assay Description
Butyrylcholinesterase type IV-S, lyophilized from horse serum (sigma Chemical Co.) was used without further purification. HPLC analyses (Thermo Sepa...


Bioorg Chem 34: 90-8 (2006)


Article DOI: 10.1016/j.bioorg.2006.01.004
BindingDB Entry DOI: 10.7270/Q2SB448Z
More data for this
Ligand-Target Pair