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Compile Data Set for Download or QSAR

Found 8 hits of ic50 for monomerid = 10925   
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
Cholinesterase


(Homo sapiens (Human))
BDBM10925
PNG
(3-{[methyl({3-[(2-oxo-2H-chromen-7-yl)oxy]propyl})...)
Show SMILES CCCCCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3ccc(=O)oc3c2)c1
Show InChI InChI=1S/C28H36N2O5/c1-3-4-5-6-7-16-29-28(32)34-25-11-8-10-22(19-25)21-30(2)17-9-18-33-24-14-12-23-13-15-27(31)35-26(23)20-24/h8,10-15,19-20H,3-7,9,16-18,21H2,1-2H3,(H,29,32)
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n/an/a 1.40n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's meth...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10925
PNG
(3-{[methyl({3-[(2-oxo-2H-chromen-7-yl)oxy]propyl})...)
Show SMILES CCCCCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3ccc(=O)oc3c2)c1
Show InChI InChI=1S/C28H36N2O5/c1-3-4-5-6-7-16-29-28(32)34-25-11-8-10-22(19-25)21-30(2)17-9-18-33-24-14-12-23-13-15-27(31)35-26(23)20-24/h8,10-15,19-20H,3-7,9,16-18,21H2,1-2H3,(H,29,32)
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n/an/a 13n/an/an/an/a8.037



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 41: 3976-86 (1998)


Article DOI: 10.1021/jm9810046
BindingDB Entry DOI: 10.7270/Q2KH0KJ8
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM10925
PNG
(3-{[methyl({3-[(2-oxo-2H-chromen-7-yl)oxy]propyl})...)
Show SMILES CCCCCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3ccc(=O)oc3c2)c1
Show InChI InChI=1S/C28H36N2O5/c1-3-4-5-6-7-16-29-28(32)34-25-11-8-10-22(19-25)21-30(2)17-9-18-33-24-14-12-23-13-15-27(31)35-26(23)20-24/h8,10-15,19-20H,3-7,9,16-18,21H2,1-2H3,(H,29,32)
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n/an/a 29n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membrane using N-arachidonoyl-[14C]-ethanolamine as substrate preincubated for 20 mins followed by substrate addition...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10925
PNG
(3-{[methyl({3-[(2-oxo-2H-chromen-7-yl)oxy]propyl})...)
Show SMILES CCCCCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3ccc(=O)oc3c2)c1
Show InChI InChI=1S/C28H36N2O5/c1-3-4-5-6-7-16-29-28(32)34-25-11-8-10-22(19-25)21-30(2)17-9-18-33-24-14-12-23-13-15-27(31)35-26(23)20-24/h8,10-15,19-20H,3-7,9,16-18,21H2,1-2H3,(H,29,32)
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n/an/a 37n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate preincubated for 120 mins followed by subs...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM10925
PNG
(3-{[methyl({3-[(2-oxo-2H-chromen-7-yl)oxy]propyl})...)
Show SMILES CCCCCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3ccc(=O)oc3c2)c1
Show InChI InChI=1S/C28H36N2O5/c1-3-4-5-6-7-16-29-28(32)34-25-11-8-10-22(19-25)21-30(2)17-9-18-33-24-14-12-23-13-15-27(31)35-26(23)20-24/h8,10-15,19-20H,3-7,9,16-18,21H2,1-2H3,(H,29,32)
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n/an/a 65n/an/an/an/an/an/a



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 41: 3976-86 (1998)


Article DOI: 10.1021/jm9810046
BindingDB Entry DOI: 10.7270/Q2KH0KJ8
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM10925
PNG
(3-{[methyl({3-[(2-oxo-2H-chromen-7-yl)oxy]propyl})...)
Show SMILES CCCCCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3ccc(=O)oc3c2)c1
Show InChI InChI=1S/C28H36N2O5/c1-3-4-5-6-7-16-29-28(32)34-25-11-8-10-22(19-25)21-30(2)17-9-18-33-24-14-12-23-13-15-27(31)35-26(23)20-24/h8,10-15,19-20H,3-7,9,16-18,21H2,1-2H3,(H,29,32)
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n/an/a 161n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membrane using N-arachidonoyl-[14C]-ethanolamine as substrate incubated for 30 mins by scintillation counting method


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM10925
PNG
(3-{[methyl({3-[(2-oxo-2H-chromen-7-yl)oxy]propyl})...)
Show SMILES CCCCCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3ccc(=O)oc3c2)c1
Show InChI InChI=1S/C28H36N2O5/c1-3-4-5-6-7-16-29-28(32)34-25-11-8-10-22(19-25)21-30(2)17-9-18-33-24-14-12-23-13-15-27(31)35-26(23)20-24/h8,10-15,19-20H,3-7,9,16-18,21H2,1-2H3,(H,29,32)
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n/an/a 170n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membranes assessed as hydrolysis of [14C]-anandamide preincubated for 20 mins before [14C]-anandamide addition measur...


ACS Med Chem Lett 3: 182-186 (2012)


Article DOI: 10.1021/ml200313p
BindingDB Entry DOI: 10.7270/Q29W0GJB
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM10925
PNG
(3-{[methyl({3-[(2-oxo-2H-chromen-7-yl)oxy]propyl})...)
Show SMILES CCCCCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3ccc(=O)oc3c2)c1
Show InChI InChI=1S/C28H36N2O5/c1-3-4-5-6-7-16-29-28(32)34-25-11-8-10-22(19-25)21-30(2)17-9-18-33-24-14-12-23-13-15-27(31)35-26(23)20-24/h8,10-15,19-20H,3-7,9,16-18,21H2,1-2H3,(H,29,32)
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n/an/a 620n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membranes assessed as hydrolysis of [14C]-anandamide after 30 mins


ACS Med Chem Lett 3: 182-186 (2012)


Article DOI: 10.1021/ml200313p
BindingDB Entry DOI: 10.7270/Q29W0GJB
More data for this
Ligand-Target Pair