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3 similar compounds to monomer 50004016

Compile data set for download or QSAR
Wt: 300.3
BDBM37112
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Wt: 467.5
BDBM50004034
Wt: 405.4
BDBM50004035

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 37112,50004034,50004035   
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
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37112
PNG
(MLS000099936 | N-(2-cyclohexyl-1,3-diketo-isoindol...)
Show SMILES CCC(=O)Nc1ccc2C(=O)N(C3CCCCC3)C(=O)c2c1
Show InChI InChI=1S/C17H20N2O3/c1-2-15(20)18-11-8-9-13-14(10-11)17(22)19(16(13)21)12-6-4-3-5-7-12/h8-10,12H,2-7H2,1H3,(H,18,20)
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PCBioAssay
n/an/an/an/a 5.80E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37112
PNG
(MLS000099936 | N-(2-cyclohexyl-1,3-diketo-isoindol...)
Show SMILES CCC(=O)Nc1ccc2C(=O)N(C3CCCCC3)C(=O)c2c1
Show InChI InChI=1S/C17H20N2O3/c1-2-15(20)18-11-8-9-13-14(10-11)17(22)19(16(13)21)12-6-4-3-5-7-12/h8-10,12H,2-7H2,1H3,(H,18,20)
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n/an/an/an/a>9.51E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37112
PNG
(MLS000099936 | N-(2-cyclohexyl-1,3-diketo-isoindol...)
Show SMILES CCC(=O)Nc1ccc2C(=O)N(C3CCCCC3)C(=O)c2c1
Show InChI InChI=1S/C17H20N2O3/c1-2-15(20)18-11-8-9-13-14(10-11)17(22)19(16(13)21)12-6-4-3-5-7-12/h8-10,12H,2-7H2,1H3,(H,18,20)
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n/an/an/an/a>3.00E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50004034
PNG
(CHEMBL141622 | N-(2-(2-(1-benzylpiperidin-4-yl)eth...)
Show SMILES O=C(Nc1cccc2C(=O)N(CCC3CCN(Cc4ccccc4)CC3)C(=O)c12)c1ccccc1
Show InChI InChI=1S/C29H29N3O3/c33-27(23-10-5-2-6-11-23)30-25-13-7-12-24-26(25)29(35)32(28(24)34)19-16-21-14-17-31(18-15-21)20-22-8-3-1-4-9-22/h1-13,21H,14-20H2,(H,30,33)
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n/an/a 340n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE


Eur J Med Chem 45: 1167-72 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.038
BindingDB Entry DOI: 10.7270/Q25H7GFM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50004035
PNG
(CHEMBL433678 | N-(2-(2-(1-benzylpiperidin-4-yl)eth...)
Show SMILES CC(=O)Nc1ccc2C(=O)N(CCC3CCN(Cc4ccccc4)CC3)C(=O)c2c1
Show InChI InChI=1S/C24H27N3O3/c1-17(28)25-20-7-8-21-22(15-20)24(30)27(23(21)29)14-11-18-9-12-26(13-10-18)16-19-5-3-2-4-6-19/h2-8,15,18H,9-14,16H2,1H3,(H,25,28)
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n/an/a 2.80n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against acetylcholinesterase (AChE) obtained from mouse brain homogenate.


J Med Chem 35: 4542-8 (1993)


Article DOI: 10.1021/jm00102a005
BindingDB Entry DOI: 10.7270/Q25M64P8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50004035
PNG
(CHEMBL433678 | N-(2-(2-(1-benzylpiperidin-4-yl)eth...)
Show SMILES CC(=O)Nc1ccc2C(=O)N(CCC3CCN(Cc4ccccc4)CC3)C(=O)c2c1
Show InChI InChI=1S/C24H27N3O3/c1-17(28)25-20-7-8-21-22(15-20)24(30)27(23(21)29)14-11-18-9-12-26(13-10-18)16-19-5-3-2-4-6-19/h2-8,15,18H,9-14,16H2,1H3,(H,25,28)
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n/an/a 2.80n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE


Eur J Med Chem 45: 1167-72 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.038
BindingDB Entry DOI: 10.7270/Q25H7GFM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50004034
PNG
(CHEMBL141622 | N-(2-(2-(1-benzylpiperidin-4-yl)eth...)
Show SMILES O=C(Nc1cccc2C(=O)N(CCC3CCN(Cc4ccccc4)CC3)C(=O)c12)c1ccccc1
Show InChI InChI=1S/C29H29N3O3/c33-27(23-10-5-2-6-11-23)30-25-13-7-12-24-26(25)29(35)32(28(24)34)19-16-21-14-17-31(18-15-21)20-22-8-3-1-4-9-22/h1-13,21H,14-20H2,(H,30,33)
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n/an/a 340n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against acetylcholinesterase (AChE) obtained from mouse brain homogenate.


J Med Chem 35: 4542-8 (1993)


Article DOI: 10.1021/jm00102a005
BindingDB Entry DOI: 10.7270/Q25M64P8
More data for this
Ligand-Target Pair