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PubMed code 20149667

Compile data set for download or QSAR
Found 17 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))		BDBM50041517
PNG
(4-[(2,6-dichloro-benzyloxyimino)-methyl]-1-(3-phen...)
Show SMILES Clc1cccc(Cl)c1CO\N=C\c1cc[n+](CCCc2ccccc2)cc1
Show InChI InChI=1S/C22H21Cl2N2O/c23-21-9-4-10-22(24)20(21)17-27-25-16-19-11-14-26(15-12-19)13-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-12,14-16H,5,8,13,17H2/q+1/b25-16+
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n/an/a 180n/an/an/an/an/an/a



Ege-University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by modified Ellman's method

Bioorg Med Chem 18: 2049-59 (2010)


Article DOI: 10.1016/j.bmc.2010.01.002
BindingDB Entry DOI: 10.7270/Q2GH9J3H
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50307921
PNG
((E,E)-1,3-bis[4-[[(2,6-dichlorobenzyloxyl)imino]me...)
Show SMILES Clc1cccc(Cl)c1CO\N=C\c1cc[n+](CCC[n+]2ccc(\C=N\OCc3c(Cl)cccc3Cl)cc2)cc1
Show InChI InChI=1S/C29H26Cl4N4O2/c30-26-4-1-5-27(31)24(26)20-38-34-18-22-8-14-36(15-9-22)12-3-13-37-16-10-23(11-17-37)19-35-39-21-25-28(32)6-2-7-29(25)33/h1-2,4-11,14-19H,3,12-13,20-21H2/q+2/b34-18+,35-19+
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n/an/a 340n/an/an/an/an/an/a



Ege-University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by modified Ellman's method

Bioorg Med Chem 18: 2049-59 (2010)


Article DOI: 10.1016/j.bmc.2010.01.002
BindingDB Entry DOI: 10.7270/Q2GH9J3H
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50307921
PNG
((E,E)-1,3-bis[4-[[(2,6-dichlorobenzyloxyl)imino]me...)
Show SMILES Clc1cccc(Cl)c1CO\N=C\c1cc[n+](CCC[n+]2ccc(\C=N\OCc3c(Cl)cccc3Cl)cc2)cc1
Show InChI InChI=1S/C29H26Cl4N4O2/c30-26-4-1-5-27(31)24(26)20-38-34-18-22-8-14-36(15-9-22)12-3-13-37-16-10-23(11-17-37)19-35-39-21-25-28(32)6-2-7-29(25)33/h1-2,4-11,14-19H,3,12-13,20-21H2/q+2/b34-18+,35-19+
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n/an/a 1.83E+3n/an/an/an/an/an/a



Ege-University

Curated by ChEMBL


Assay Description
Inhibition of horse serum BuChE by modified Ellman's method

Bioorg Med Chem 18: 2049-59 (2010)


Article DOI: 10.1016/j.bmc.2010.01.002
BindingDB Entry DOI: 10.7270/Q2GH9J3H
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50041517
PNG
(4-[(2,6-dichloro-benzyloxyimino)-methyl]-1-(3-phen...)
Show SMILES Clc1cccc(Cl)c1CO\N=C\c1cc[n+](CCCc2ccccc2)cc1
Show InChI InChI=1S/C22H21Cl2N2O/c23-21-9-4-10-22(24)20(21)17-27-25-16-19-11-14-26(15-12-19)13-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-12,14-16H,5,8,13,17H2/q+1/b25-16+
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n/an/a 2.78E+3n/an/an/an/an/an/a



Ege-University

Curated by ChEMBL


Assay Description
Inhibition of horse serum BuChE by modified Ellman's method

Bioorg Med Chem 18: 2049-59 (2010)


Article DOI: 10.1016/j.bmc.2010.01.002
BindingDB Entry DOI: 10.7270/Q2GH9J3H
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50307927
PNG
(4-((2,6-dichlorobenzylidene)hydrazono)-1-(3-phenyl...)
Show SMILES Clc1cccc(Cl)c1\C=N\N=c1ccn(CCCc2ccccc2)cc1 |(14.77,-30.22,;13.43,-30.99,;12.1,-30.22,;10.77,-31,;10.77,-32.54,;12.11,-33.3,;12.12,-34.84,;13.43,-32.53,;14.77,-33.3,;16.1,-32.53,;17.43,-33.29,;18.77,-32.52,;20.1,-33.29,;21.43,-32.52,;21.43,-30.98,;22.77,-30.22,;24.1,-30.99,;25.44,-30.22,;26.77,-31,;26.75,-32.54,;28.09,-33.31,;29.42,-32.54,;29.42,-30.99,;28.09,-30.23,;20.1,-30.21,;18.76,-30.98,)|
Show InChI InChI=1S/C21H19Cl2N3/c22-20-9-4-10-21(23)19(20)16-24-25-18-11-14-26(15-12-18)13-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-12,14-16H,5,8,13H2/b24-16+
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n/an/a 5.66E+3n/an/an/an/an/an/a



Ege-University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by modified Ellman's method

Bioorg Med Chem 18: 2049-59 (2010)


Article DOI: 10.1016/j.bmc.2010.01.002
BindingDB Entry DOI: 10.7270/Q2GH9J3H
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50307928
PNG
(1-(2,6-dichlorobenzyl)-4-((2,6-dichlorobenzylidene...)
Show SMILES Clc1cccc(Cl)c1Cn1ccc(cc1)=N\N=C\c1c(Cl)cccc1Cl |(6.37,-36.83,;6.37,-38.37,;7.71,-39.13,;7.71,-40.68,;6.37,-41.45,;5.04,-40.67,;3.7,-41.44,;5.05,-39.14,;3.72,-38.36,;2.39,-39.13,;2.38,-40.67,;1.05,-41.44,;-.28,-40.67,;-.29,-39.13,;1.05,-38.36,;-1.61,-41.44,;-2.95,-40.67,;-4.28,-41.44,;-5.62,-40.68,;-5.61,-39.14,;-4.28,-38.37,;-6.95,-38.37,;-8.28,-39.14,;-8.28,-40.69,;-6.94,-41.45,;-6.93,-42.99,)|
Show InChI InChI=1S/C19H13Cl4N3/c20-16-3-1-4-17(21)14(16)11-24-25-13-7-9-26(10-8-13)12-15-18(22)5-2-6-19(15)23/h1-11H,12H2/b24-11+
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n/an/a 6.40E+3n/an/an/an/an/an/a



Ege-University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by modified Ellman's method

Bioorg Med Chem 18: 2049-59 (2010)


Article DOI: 10.1016/j.bmc.2010.01.002
BindingDB Entry DOI: 10.7270/Q2GH9J3H
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50307925
PNG
(1-benzyl-4-((2,6-dichlorobenzylidene)hydrazono)-1,...)
Show SMILES Clc1cccc(Cl)c1\C=N\N=c1ccn(Cc2ccccc2)cc1 |(9.22,-23.07,;7.88,-23.84,;6.55,-23.07,;5.21,-23.84,;5.22,-25.39,;6.56,-26.15,;6.57,-27.69,;7.88,-25.38,;9.22,-26.15,;10.55,-25.37,;11.89,-26.14,;13.22,-25.37,;14.55,-26.14,;15.88,-25.37,;15.89,-23.83,;17.22,-23.06,;18.56,-23.84,;18.54,-25.38,;19.87,-26.15,;21.21,-25.38,;21.21,-23.83,;19.88,-23.07,;14.55,-23.06,;13.21,-23.83,)|
Show InChI InChI=1S/C19H15Cl2N3/c20-18-7-4-8-19(21)17(18)13-22-23-16-9-11-24(12-10-16)14-15-5-2-1-3-6-15/h1-13H,14H2/b22-13+
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n/an/a 8.00E+3n/an/an/an/an/an/a



Ege-University

Curated by ChEMBL


Assay Description
Inhibition of horse serum BuChE by modified Ellman's method

Bioorg Med Chem 18: 2049-59 (2010)


Article DOI: 10.1016/j.bmc.2010.01.002
BindingDB Entry DOI: 10.7270/Q2GH9J3H
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50307926
PNG
(4-((2,6-dichlorobenzylidene)hydrazono)-1-phenethyl...)
Show SMILES Clc1cccc(Cl)c1\C=N\N=c1ccn(CCc2ccccc2)cc1 |(-4.88,-30.85,;-6.21,-31.62,;-7.55,-30.85,;-8.88,-31.62,;-8.87,-33.17,;-7.54,-33.93,;-7.53,-35.47,;-6.22,-33.16,;-4.88,-33.92,;-3.55,-33.15,;-2.21,-33.92,;-.88,-33.15,;.45,-33.92,;1.78,-33.15,;1.79,-31.61,;3.12,-30.84,;4.45,-31.62,;5.79,-30.85,;7.11,-31.63,;8.45,-30.86,;8.45,-29.32,;7.11,-28.55,;5.78,-29.32,;.45,-30.84,;-.89,-31.61,)|
Show InChI InChI=1S/C20H17Cl2N3/c21-19-7-4-8-20(22)18(19)15-23-24-17-10-13-25(14-11-17)12-9-16-5-2-1-3-6-16/h1-8,10-11,13-15H,9,12H2/b23-15+
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n/an/a 9.00E+3n/an/an/an/an/an/a



Ege-University

Curated by ChEMBL


Assay Description
Inhibition of horse serum BuChE by modified Ellman's method

Bioorg Med Chem 18: 2049-59 (2010)


Article DOI: 10.1016/j.bmc.2010.01.002
BindingDB Entry DOI: 10.7270/Q2GH9J3H
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50307927
PNG
(4-((2,6-dichlorobenzylidene)hydrazono)-1-(3-phenyl...)
Show SMILES Clc1cccc(Cl)c1\C=N\N=c1ccn(CCCc2ccccc2)cc1 |(14.77,-30.22,;13.43,-30.99,;12.1,-30.22,;10.77,-31,;10.77,-32.54,;12.11,-33.3,;12.12,-34.84,;13.43,-32.53,;14.77,-33.3,;16.1,-32.53,;17.43,-33.29,;18.77,-32.52,;20.1,-33.29,;21.43,-32.52,;21.43,-30.98,;22.77,-30.22,;24.1,-30.99,;25.44,-30.22,;26.77,-31,;26.75,-32.54,;28.09,-33.31,;29.42,-32.54,;29.42,-30.99,;28.09,-30.23,;20.1,-30.21,;18.76,-30.98,)|
Show InChI InChI=1S/C21H19Cl2N3/c22-20-9-4-10-21(23)19(20)16-24-25-18-11-14-26(15-12-18)13-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-12,14-16H,5,8,13H2/b24-16+
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n/an/a 1.00E+4n/an/an/an/an/an/a



Ege-University

Curated by ChEMBL


Assay Description
Inhibition of horse serum BuChE by modified Ellman's method

Bioorg Med Chem 18: 2049-59 (2010)


Article DOI: 10.1016/j.bmc.2010.01.002
BindingDB Entry DOI: 10.7270/Q2GH9J3H
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50307924
PNG
(4-((2,6-dichlorobenzylidene)hydrazono)-1-methyl-1,...)
Show SMILES Cn1ccc(cc1)=N\N=C\c1c(Cl)cccc1Cl |(3.18,-22.22,;1.84,-22.99,;1.84,-24.53,;.51,-25.3,;-.83,-24.53,;-.83,-22.99,;.51,-22.22,;-2.16,-25.3,;-3.49,-24.53,;-4.83,-25.3,;-6.16,-24.53,;-6.16,-23,;-4.83,-22.23,;-7.49,-22.23,;-8.83,-23,;-8.82,-24.55,;-7.48,-25.31,;-7.48,-26.85,)|
Show InChI InChI=1S/C13H11Cl2N3/c1-18-7-5-10(6-8-18)17-16-9-11-12(14)3-2-4-13(11)15/h2-9H,1H3/b16-9+
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n/an/a 1.10E+4n/an/an/an/an/an/a



Ege-University

Curated by ChEMBL


Assay Description
Inhibition of horse serum BuChE by modified Ellman's method

Bioorg Med Chem 18: 2049-59 (2010)


Article DOI: 10.1016/j.bmc.2010.01.002
BindingDB Entry DOI: 10.7270/Q2GH9J3H
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50231232
PNG
(1-(2-phenylpropyl)-4-oxopiperidine O-(2,6-Dichloro...)
Show SMILES Clc1cccc(Cl)c1-[#6]-[#8]\[#7]=[#6]-1\[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-c2ccccc2)-[#6]-[#6]-1
Show InChI InChI=1S/C21H24Cl2N2O/c22-20-9-4-10-21(23)19(20)16-26-24-18-11-14-25(15-12-18)13-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10H,5,8,11-16H2
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n/an/a 1.21E+4n/an/an/an/an/an/a



Ege-University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by modified Ellman's method

Bioorg Med Chem 18: 2049-59 (2010)


Article DOI: 10.1016/j.bmc.2010.01.002
BindingDB Entry DOI: 10.7270/Q2GH9J3H
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50307925
PNG
(1-benzyl-4-((2,6-dichlorobenzylidene)hydrazono)-1,...)
Show SMILES Clc1cccc(Cl)c1\C=N\N=c1ccn(Cc2ccccc2)cc1 |(9.22,-23.07,;7.88,-23.84,;6.55,-23.07,;5.21,-23.84,;5.22,-25.39,;6.56,-26.15,;6.57,-27.69,;7.88,-25.38,;9.22,-26.15,;10.55,-25.37,;11.89,-26.14,;13.22,-25.37,;14.55,-26.14,;15.88,-25.37,;15.89,-23.83,;17.22,-23.06,;18.56,-23.84,;18.54,-25.38,;19.87,-26.15,;21.21,-25.38,;21.21,-23.83,;19.88,-23.07,;14.55,-23.06,;13.21,-23.83,)|
Show InChI InChI=1S/C19H15Cl2N3/c20-18-7-4-8-19(21)17(18)13-22-23-16-9-11-24(12-10-16)14-15-5-2-1-3-6-15/h1-13H,14H2/b22-13+
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n/an/a 1.74E+4n/an/an/an/an/an/a



Ege-University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by modified Ellman's method

Bioorg Med Chem 18: 2049-59 (2010)


Article DOI: 10.1016/j.bmc.2010.01.002
BindingDB Entry DOI: 10.7270/Q2GH9J3H
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50231234
PNG
(1-(3-phenylpropyl)piperidine-4-carbaldehyde O-2,6-...)
Show SMILES Clc1cccc(Cl)c1CO\N=C\C1CCN(CCCc2ccccc2)CC1
Show InChI InChI=1S/C22H26Cl2N2O/c23-21-9-4-10-22(24)20(21)17-27-25-16-19-11-14-26(15-12-19)13-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-10,16,19H,5,8,11-15,17H2/b25-16+
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n/an/a 1.91E+4n/an/an/an/an/an/a



Ege-University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by modified Ellman's method

Bioorg Med Chem 18: 2049-59 (2010)


Article DOI: 10.1016/j.bmc.2010.01.002
BindingDB Entry DOI: 10.7270/Q2GH9J3H
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50307926
PNG
(4-((2,6-dichlorobenzylidene)hydrazono)-1-phenethyl...)
Show SMILES Clc1cccc(Cl)c1\C=N\N=c1ccn(CCc2ccccc2)cc1 |(-4.88,-30.85,;-6.21,-31.62,;-7.55,-30.85,;-8.88,-31.62,;-8.87,-33.17,;-7.54,-33.93,;-7.53,-35.47,;-6.22,-33.16,;-4.88,-33.92,;-3.55,-33.15,;-2.21,-33.92,;-.88,-33.15,;.45,-33.92,;1.78,-33.15,;1.79,-31.61,;3.12,-30.84,;4.45,-31.62,;5.79,-30.85,;7.11,-31.63,;8.45,-30.86,;8.45,-29.32,;7.11,-28.55,;5.78,-29.32,;.45,-30.84,;-.89,-31.61,)|
Show InChI InChI=1S/C20H17Cl2N3/c21-19-7-4-8-20(22)18(19)15-23-24-17-10-13-25(14-11-17)12-9-16-5-2-1-3-6-16/h1-8,10-11,13-15H,9,12H2/b23-15+
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n/an/a 5.67E+4n/an/an/an/an/an/a



Ege-University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by modified Ellman's method

Bioorg Med Chem 18: 2049-59 (2010)


Article DOI: 10.1016/j.bmc.2010.01.002
BindingDB Entry DOI: 10.7270/Q2GH9J3H
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50231232
PNG
(1-(2-phenylpropyl)-4-oxopiperidine O-(2,6-Dichloro...)
Show SMILES Clc1cccc(Cl)c1-[#6]-[#8]\[#7]=[#6]-1\[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-c2ccccc2)-[#6]-[#6]-1
Show InChI InChI=1S/C21H24Cl2N2O/c22-20-9-4-10-21(23)19(20)16-26-24-18-11-14-25(15-12-18)13-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10H,5,8,11-16H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Ege-University

Curated by ChEMBL


Assay Description
Inhibition of horse serum BuChE by modified Ellman's method

Bioorg Med Chem 18: 2049-59 (2010)


Article DOI: 10.1016/j.bmc.2010.01.002
BindingDB Entry DOI: 10.7270/Q2GH9J3H
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50307923
PNG
(1-(3-phenylpropyl)piperidine-4-carbaldehyde oxime ...)
Show SMILES O=NCC1CCN(CCCc2ccccc2)CC1
Show InChI InChI=1S/C15H22N2O/c18-16-13-15-8-11-17(12-9-15)10-4-7-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2
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n/an/a 2.78E+5n/an/an/an/an/an/a



Ege-University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by modified Ellman's method

Bioorg Med Chem 18: 2049-59 (2010)


Article DOI: 10.1016/j.bmc.2010.01.002
BindingDB Entry DOI: 10.7270/Q2GH9J3H
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50307924
PNG
(4-((2,6-dichlorobenzylidene)hydrazono)-1-methyl-1,...)
Show SMILES Cn1ccc(cc1)=N\N=C\c1c(Cl)cccc1Cl |(3.18,-22.22,;1.84,-22.99,;1.84,-24.53,;.51,-25.3,;-.83,-24.53,;-.83,-22.99,;.51,-22.22,;-2.16,-25.3,;-3.49,-24.53,;-4.83,-25.3,;-6.16,-24.53,;-6.16,-23,;-4.83,-22.23,;-7.49,-22.23,;-8.83,-23,;-8.82,-24.55,;-7.48,-25.31,;-7.48,-26.85,)|
Show InChI InChI=1S/C13H11Cl2N3/c1-18-7-5-10(6-8-18)17-16-9-11-12(14)3-2-4-13(11)15/h2-9H,1H3/b16-9+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.39E+5n/an/an/an/an/an/a



Ege-University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by modified Ellman's method

Bioorg Med Chem 18: 2049-59 (2010)


Article DOI: 10.1016/j.bmc.2010.01.002
BindingDB Entry DOI: 10.7270/Q2GH9J3H
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%