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4 similar compounds to monomer 9391

Compile data set for download or QSAR
Wt: 381.4
BDBM9415
Wt: 381.4
BDBM9416
Wt: 381.4
BDBM9417
Wt: 423.5
BDBM50133799

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 9415,9416,9417,50133799   
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
Acetylcholinesterase


(Mus musculus (mouse))
BDBM9415
PNG
(CHEMBL340382 | N-methyl-N-(2-{1-[(2-nitrophenyl)me...)
Show SMILES CN(CCC1CCN(Cc2ccccc2[N+]([O-])=O)CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C22H27N3O3/c1-23(22(26)19-7-3-2-4-8-19)14-11-18-12-15-24(16-13-18)17-20-9-5-6-10-21(20)25(27)28/h2-10,18H,11-17H2,1H3
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n/an/a 1.40E+4n/an/an/an/an/an/a



Tsukuba Research Laboratories



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The amount of a yellow substance formed after incubation was d...


J Med Chem 33: 1880-7 (1990)


Article DOI: 10.1021/jm00169a008
BindingDB Entry DOI: 10.7270/Q20Z71H2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM9416
PNG
(CHEMBL126827 | N-methyl-N-(2-{1-[(3-nitrophenyl)me...)
Show SMILES CN(CCC1CCN(Cc2cccc(c2)[N+]([O-])=O)CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C22H27N3O3/c1-23(22(26)20-7-3-2-4-8-20)13-10-18-11-14-24(15-12-18)17-19-6-5-9-21(16-19)25(27)28/h2-9,16,18H,10-15,17H2,1H3
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n/an/a 370n/an/an/an/an/an/a



Tsukuba Research Laboratories



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The amount of a yellow substance formed after incubation was d...


J Med Chem 33: 1880-7 (1990)


Article DOI: 10.1021/jm00169a008
BindingDB Entry DOI: 10.7270/Q20Z71H2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM9417
PNG
(CHEMBL125571 | N-methyl-N-(2-{1-[(4-nitrophenyl)me...)
Show SMILES CN(CCC1CCN(Cc2ccc(cc2)[N+]([O-])=O)CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C22H27N3O3/c1-23(22(26)20-5-3-2-4-6-20)14-11-18-12-15-24(16-13-18)17-19-7-9-21(10-8-19)25(27)28/h2-10,18H,11-17H2,1H3
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n/an/a 3.30E+3n/an/an/an/an/an/a



Tsukuba Research Laboratories



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The amount of a yellow substance formed after incubation was d...


J Med Chem 33: 1880-7 (1990)


Article DOI: 10.1021/jm00169a008
BindingDB Entry DOI: 10.7270/Q20Z71H2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM9415
PNG
(CHEMBL340382 | N-methyl-N-(2-{1-[(2-nitrophenyl)me...)
Show SMILES CN(CCC1CCN(Cc2ccccc2[N+]([O-])=O)CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C22H27N3O3/c1-23(22(26)19-7-3-2-4-8-19)14-11-18-12-15-24(16-13-18)17-20-9-5-6-10-21(20)25(27)28/h2-10,18H,11-17H2,1H3
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n/an/a 1.40E+4n/an/an/an/an/an/a



University of Missouri-St. Louis

Curated by ChEMBL


Assay Description
Inhibition against Acetylcholinesterase (AChE)


J Med Chem 39: 380-7 (1996)


Article DOI: 10.1021/jm950704x
BindingDB Entry DOI: 10.7270/Q25D8T1Q
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM9417
PNG
(CHEMBL125571 | N-methyl-N-(2-{1-[(4-nitrophenyl)me...)
Show SMILES CN(CCC1CCN(Cc2ccc(cc2)[N+]([O-])=O)CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C22H27N3O3/c1-23(22(26)20-5-3-2-4-6-20)14-11-18-12-15-24(16-13-18)17-19-7-9-21(10-8-19)25(27)28/h2-10,18H,11-17H2,1H3
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n/an/a 3.30E+3n/an/an/an/an/an/a



University of Missouri-St. Louis

Curated by ChEMBL


Assay Description
Inhibition against Acetylcholinesterase (AChE)


J Med Chem 39: 380-7 (1996)


Article DOI: 10.1021/jm950704x
BindingDB Entry DOI: 10.7270/Q25D8T1Q
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM9416
PNG
(CHEMBL126827 | N-methyl-N-(2-{1-[(3-nitrophenyl)me...)
Show SMILES CN(CCC1CCN(Cc2cccc(c2)[N+]([O-])=O)CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C22H27N3O3/c1-23(22(26)20-7-3-2-4-8-20)13-10-18-11-14-24(15-12-18)17-19-6-5-9-21(16-19)25(27)28/h2-9,16,18H,10-15,17H2,1H3
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n/an/a 370n/an/an/an/an/an/a



University of Missouri-St. Louis

Curated by ChEMBL


Assay Description
Inhibition against Acetylcholinesterase (AChE)


J Med Chem 39: 380-7 (1996)


Article DOI: 10.1021/jm950704x
BindingDB Entry DOI: 10.7270/Q25D8T1Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50133799
PNG
(4-Methyl-N-{2-methyl-1-[1-(4-nitro-benzyl)-piperid...)
Show SMILES CC(C)C(CC1CCN(Cc2ccc(cc2)[N+]([O-])=O)CC1)NC(=O)c1ccc(C)cc1
Show InChI InChI=1/C25H33N3O3/c1-18(2)24(26-25(29)22-8-4-19(3)5-9-22)16-20-12-14-27(15-13-20)17-21-6-10-23(11-7-21)28(30)31/h4-11,18,20,24H,12-17H2,1-3H3,(H,26,29)
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n/an/a 8.50E+3n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Binding affinity was determined towards C-C chemokine receptor type 3 using [125I]-labeled eotaxin as radioligand


Bioorg Med Chem Lett 13: 3597-600 (2003)


Article DOI: 10.1016/s0960-894x(03)00748-0
BindingDB Entry DOI: 10.7270/Q228085J
More data for this
Ligand-Target Pair