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PubMed code 22397393

Compile data set for download or QSAR
Found 5 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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM240835
PNG
(Diethyl[(3-chloro-4-methylanilinocarbonyl)oxy](2,4...)
Show SMILES CCOP(=O)(OCC)C(OC(=O)Nc1ccc(C)c(Cl)c1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H21Cl3NO5P/c1-4-26-29(25,27-5-2)18(15-9-7-13(20)10-17(15)22)28-19(24)23-14-8-6-12(3)16(21)11-14/h6-11,18H,4-5H2,1-3H3,(H,23,24)
UniProtKB/SwissProt

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UniChem
Article
PubMed
n/an/a 6.36E+3n/an/an/an/a8.025



Institute for Advanced Studies in Basic Sciences (IASBS)



Assay Description
Inhibitory activities of synthesized α-oxycarbanilinophosphonates were determined at 25°C by the colorimetric method of Ellman et al. [Ellman et...

J Enzyme Inhib Med Chem 28: 576-82 (2013)


Article DOI: 10.3109/14756366.2012.663362
BindingDB Entry DOI: 10.7270/Q20R9N9H
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM240836
PNG
(α-Oxycarbanilinophosphonate, 4i)
Show SMILES CCOP(=O)(OCC)C(OC(=O)Nc1ccc(C)c(Cl)c1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H22ClN2O7P/c1-4-27-30(26,28-5-2)18(14-7-10-16(11-8-14)22(24)25)29-19(23)21-15-9-6-13(3)17(20)12-15/h6-12,18H,4-5H2,1-3H3,(H,21,23)
UniProtKB/SwissProt

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UniChem
Article
PubMed
n/an/a 7.47E+3n/an/an/an/a8.025



Institute for Advanced Studies in Basic Sciences (IASBS)



Assay Description
Inhibitory activities of synthesized α-oxycarbanilinophosphonates were determined at 25°C by the colorimetric method of Ellman et al. [Ellman et...

J Enzyme Inhib Med Chem 28: 576-82 (2013)


Article DOI: 10.3109/14756366.2012.663362
BindingDB Entry DOI: 10.7270/Q20R9N9H
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM240834
PNG
(α-Oxycarbanilinophosphonate, 4f)
Show SMILES CCOP(=O)(OCC)C(OC(=O)Nc1ccccc1)\C=C\c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C20H23N2O7P/c1-3-27-30(26,28-4-2)19(29-20(23)21-17-11-6-5-7-12-17)15-14-16-10-8-9-13-18(16)22(24)25/h5-15,19H,3-4H2,1-2H3,(H,21,23)/b15-14+
UniProtKB/SwissProt

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UniChem
Article
PubMed
n/an/a 1.04E+4n/an/an/an/a8.025



Institute for Advanced Studies in Basic Sciences (IASBS)



Assay Description
Inhibitory activities of synthesized α-oxycarbanilinophosphonates were determined at 25°C by the colorimetric method of Ellman et al. [Ellman et...

J Enzyme Inhib Med Chem 28: 576-82 (2013)


Article DOI: 10.3109/14756366.2012.663362
BindingDB Entry DOI: 10.7270/Q20R9N9H
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM240833
PNG
(α-Oxycarbanilinophosphonate, 4d)
Show SMILES CCOP(=O)(OCC)C(OC(=O)Nc1ccccc1)c1ccc(SC)cc1
Show InChI InChI=1S/C19H24NO5PS/c1-4-23-26(22,24-5-2)18(15-11-13-17(27-3)14-12-15)25-19(21)20-16-9-7-6-8-10-16/h6-14,18H,4-5H2,1-3H3,(H,20,21)
UniProtKB/SwissProt

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UniChem
Article
PubMed
n/an/a 1.61E+5n/an/an/an/a8.025



Institute for Advanced Studies in Basic Sciences (IASBS)



Assay Description
Inhibitory activities of synthesized α-oxycarbanilinophosphonates were determined at 25°C by the colorimetric method of Ellman et al. [Ellman et...

J Enzyme Inhib Med Chem 28: 576-82 (2013)


Article DOI: 10.3109/14756366.2012.663362
BindingDB Entry DOI: 10.7270/Q20R9N9H
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM240837
PNG
(α-Oxycarbanilinophosphonate, 4l)
Show SMILES CCOP(=O)(OCC)C(OC(=O)NCc1ccccc1)c1cccc2ccccc12
Show InChI InChI=1S/C23H26NO5P/c1-3-27-30(26,28-4-2)22(21-16-10-14-19-13-8-9-15-20(19)21)29-23(25)24-17-18-11-6-5-7-12-18/h5-16,22H,3-4,17H2,1-2H3,(H,24,25)
UniProtKB/SwissProt

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UniChem
Article
PubMed
n/an/a 4.18E+5n/an/an/an/a8.025



Institute for Advanced Studies in Basic Sciences (IASBS)



Assay Description
Inhibitory activities of synthesized α-oxycarbanilinophosphonates were determined at 25°C by the colorimetric method of Ellman et al. [Ellman et...

J Enzyme Inhib Med Chem 28: 576-82 (2013)


Article DOI: 10.3109/14756366.2012.663362
BindingDB Entry DOI: 10.7270/Q20R9N9H
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%