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Compile Data Set for Download or QSAR

Found 31 hits with Last Name = 'hadfield' and Initial = 'ja'   
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
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50070103
PNG
((E)-1-(2',5'-Dimethoxyphenyl)-3-(4''-N,N-Dimethyla...)
Show SMILES COc1ccc(OC)c(c1)C(=O)C(\C)=C\c1ccc(cc1)N(C)C
Show InChI InChI=1S/C20H23NO3/c1-14(12-15-6-8-16(9-7-15)21(2)3)20(22)18-13-17(23-4)10-11-19(18)24-5/h6-13H,1-5H3/b14-12+
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n/an/a 12n/an/an/an/an/an/a



University of Manchester Institute of Science and Technology

Curated by ChEMBL


Assay Description
Tested for inhibition of polymerization of tubulin


Bioorg Med Chem Lett 8: 1051-6 (1999)


BindingDB Entry DOI: 10.7270/Q20C4TWH
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50070107
PNG
((E)-3-(3''-Hydroxy-4''-methoxyphenyl)-2-methyl-1-(...)
Show SMILES COc1ccc(\C=C(/C)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1O
Show InChI InChI=1S/C20H22O6/c1-12(8-13-6-7-16(23-2)15(21)9-13)19(22)14-10-17(24-3)20(26-5)18(11-14)25-4/h6-11,21H,1-5H3/b12-8+
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n/an/a 500n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Concentration that cause a 50% inhibition in tubulin assembly as measured by an increase inturbidity using microtubule assembly assay


Bioorg Med Chem Lett 13: 3759-63 (2003)


BindingDB Entry DOI: 10.7270/Q2G73D48
More data for this
Ligand-Target Pair
Tubulin alpha-1A/beta chain


(Sus scrofa (Pig))
BDBM50095321
PNG
(2-Methoxy-5-(3,4,5-trimethoxy-benzyloxy)-benzaldeh...)
Show SMILES COc1ccc(OCc2cc(OC)c(OC)c(OC)c2)cc1C=O
Show InChI InChI=1S/C18H20O6/c1-20-15-6-5-14(9-13(15)10-19)24-11-12-7-16(21-2)18(23-4)17(8-12)22-3/h5-10H,11H2,1-4H3
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n/an/a 600n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Effect on tubulin binding and the concentration required to cause 50% decrease in tubulin assembly at 350 nm.


Bioorg Med Chem Lett 11: 51-4 (2001)


BindingDB Entry DOI: 10.7270/Q2C82CHT
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50005480
PNG
((-)-combretastatin | (Z)-3'-hydroxy-3,4,4',5-tetra...)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O
Show InChI InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Inhibition of pig tubulin polymerization by spectrophotometry


Bioorg Med Chem Lett 22: 6731-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.089
BindingDB Entry DOI: 10.7270/Q2NS0XRG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin alpha-1A/beta chain


(Sus scrofa (Pig))
BDBM50095321
PNG
(2-Methoxy-5-(3,4,5-trimethoxy-benzyloxy)-benzaldeh...)
Show SMILES COc1ccc(OCc2cc(OC)c(OC)c(OC)c2)cc1C=O
Show InChI InChI=1S/C18H20O6/c1-20-15-6-5-14(9-13(15)10-19)24-11-12-7-16(21-2)18(23-4)17(8-12)22-3/h5-10H,11H2,1-4H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Concentration required to cause 50% decrease in the binding of [3H]colchicine from purified porcine tubulin.


Bioorg Med Chem Lett 11: 51-4 (2001)


BindingDB Entry DOI: 10.7270/Q2C82CHT
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50485732
PNG
(CHEMBL2158367)
Show SMILES COc1ccc(\C=C(\C#N)c2cc(OC)c(OC)c(OC)c2)cc1F
Show InChI InChI=1S/C19H18FNO4/c1-22-16-6-5-12(8-15(16)20)7-14(11-21)13-9-17(23-2)19(25-4)18(10-13)24-3/h5-10H,1-4H3/b14-7-
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n/an/a 4.20E+3n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Inhibition of pig tubulin polymerization by spectrophotometry


Bioorg Med Chem Lett 22: 6731-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.089
BindingDB Entry DOI: 10.7270/Q2NS0XRG
More data for this
Ligand-Target Pair
Tubulin alpha-1A/beta chain


(Sus scrofa (Pig))
BDBM50095317
PNG
(2-Methoxy-5-(3,4,5-trimethoxy-phenoxymethyl)-pheno...)
Show SMILES COc1ccc(COc2cc(OC)c(OC)c(OC)c2)cc1O
Show InChI InChI=1S/C17H20O6/c1-19-14-6-5-11(7-13(14)18)10-23-12-8-15(20-2)17(22-4)16(9-12)21-3/h5-9,18H,10H2,1-4H3
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n/an/a 6.60E+3n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Effect on tubulin binding and the concentration required to cause 50% decrease in tubulin assembly at 350 nm.


Bioorg Med Chem Lett 11: 51-4 (2001)


BindingDB Entry DOI: 10.7270/Q2C82CHT
More data for this
Ligand-Target Pair
Tubulin alpha-1A/beta chain


(Sus scrofa (Pig))
BDBM50095326
PNG
(2-Methoxy-5-(3,4,5-trimethoxy-phenoxy)-phenol | CH...)
Show SMILES COc1ccc(Oc2cc(OC)c(OC)c(OC)c2)cc1O
Show InChI InChI=1S/C16H18O6/c1-18-13-6-5-10(7-12(13)17)22-11-8-14(19-2)16(21-4)15(9-11)20-3/h5-9,17H,1-4H3
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n/an/a 1.63E+4n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Effect on tubulin binding and the concentration required to cause 50% decrease in tubulin assembly at 350 nm.


Bioorg Med Chem Lett 11: 51-4 (2001)


BindingDB Entry DOI: 10.7270/Q2C82CHT
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50485730
PNG
(CHEMBL2158372)
Show SMILES COc1ccc(\C=C(/C#N)c2cc(OC)c(OC)c(OC)c2)cc1B(O)O
Show InChI InChI=1S/C19H20BNO6/c1-24-16-6-5-12(8-15(16)20(22)23)7-14(11-21)13-9-17(25-2)19(27-4)18(10-13)26-3/h5-10,22-23H,1-4H3/b14-7+
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n/an/a 1.74E+4n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Inhibition of pig tubulin polymerization by spectrophotometry


Bioorg Med Chem Lett 22: 6731-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.089
BindingDB Entry DOI: 10.7270/Q2NS0XRG
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50485734
PNG
(CHEMBL2158368)
Show SMILES COc1ccc(\C=C(/C#N)c2cc(OC)c(OC)c(OC)c2)cc1F
Show InChI InChI=1S/C19H18FNO4/c1-22-16-6-5-12(8-15(16)20)7-14(11-21)13-9-17(23-2)19(25-4)18(10-13)24-3/h5-10H,1-4H3/b14-7+
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n/an/a 1.85E+4n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Inhibition of pig tubulin polymerization by spectrophotometry


Bioorg Med Chem Lett 22: 6731-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.089
BindingDB Entry DOI: 10.7270/Q2NS0XRG
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50134450
PNG
(2-[1-(3-Hydroxy-4-methoxy-phenyl)-meth-(Z)-ylidene...)
Show SMILES COc1ccc(\C=C2/Oc3c(cc(OC)c(OC)c3OC)C2=O)cc1O
Show InChI InChI=1S/C19H18O7/c1-22-13-6-5-10(7-12(13)20)8-14-16(21)11-9-15(23-2)18(24-3)19(25-4)17(11)26-14/h5-9,20H,1-4H3/b14-8-
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n/an/a 2.20E+4n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Concentration that cause a 50% inhibition in tubulin assembly as measured by an increase inturbidity using microtubule assembly assay


Bioorg Med Chem Lett 13: 3759-63 (2003)


BindingDB Entry DOI: 10.7270/Q2G73D48
More data for this
Ligand-Target Pair
Tubulin alpha-1A/beta chain


(Sus scrofa (Pig))
BDBM50095320
PNG
(2-Methoxy-5-(3,4,5-trimethoxy-benzyloxy)-phenol | ...)
Show SMILES COc1ccc(OCc2cc(OC)c(OC)c(OC)c2)cc1O
Show InChI InChI=1S/C17H20O6/c1-19-14-6-5-12(9-13(14)18)23-10-11-7-15(20-2)17(22-4)16(8-11)21-3/h5-9,18H,10H2,1-4H3
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n/an/a 2.25E+4n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Effect on tubulin binding and the concentration required to cause 50% decrease in tubulin assembly at 350 nm.


Bioorg Med Chem Lett 11: 51-4 (2001)


BindingDB Entry DOI: 10.7270/Q2C82CHT
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50134459
PNG
(2-(3-Hydroxy-4-methoxy-phenyl)-6,7,8-trimethoxy-ch...)
Show SMILES COc1ccc(cc1O)-c1cc(=O)c2cc(OC)c(OC)c(OC)c2o1
Show InChI InChI=1S/C19H18O7/c1-22-14-6-5-10(7-13(14)21)15-9-12(20)11-8-16(23-2)18(24-3)19(25-4)17(11)26-15/h5-9,21H,1-4H3
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n/an/a 2.50E+4n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Concentration that cause a 50% inhibition in tubulin assembly as measured by an increase inturbidity using microtubule assembly assay


Bioorg Med Chem Lett 13: 3759-63 (2003)


BindingDB Entry DOI: 10.7270/Q2G73D48
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50485733
PNG
(CHEMBL2158371)
Show SMILES COc1ccc(\C=C(/C#N)c2cc(OC)c(OC)c(OC)c2)cc1C#C
Show InChI InChI=1S/C21H19NO4/c1-6-15-9-14(7-8-18(15)23-2)10-17(13-22)16-11-19(24-3)21(26-5)20(12-16)25-4/h1,7-12H,2-5H3/b17-10+
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n/an/a 2.53E+4n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Inhibition of pig tubulin polymerization by spectrophotometry


Bioorg Med Chem Lett 22: 6731-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.089
BindingDB Entry DOI: 10.7270/Q2NS0XRG
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50485729
PNG
(CHEMBL2158369)
Show SMILES COc1ccc(\C=C(/C#N)c2cc(OC)c(OC)c(OC)c2)cc1Br
Show InChI InChI=1S/C19H18BrNO4/c1-22-16-6-5-12(8-15(16)20)7-14(11-21)13-9-17(23-2)19(25-4)18(10-13)24-3/h5-10H,1-4H3/b14-7+
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n/an/a 3.56E+4n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Inhibition of pig tubulin polymerization by spectrophotometry


Bioorg Med Chem Lett 22: 6731-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.089
BindingDB Entry DOI: 10.7270/Q2NS0XRG
More data for this
Ligand-Target Pair
Tubulin alpha-1A/beta chain


(Sus scrofa (Pig))
BDBM50095317
PNG
(2-Methoxy-5-(3,4,5-trimethoxy-phenoxymethyl)-pheno...)
Show SMILES COc1ccc(COc2cc(OC)c(OC)c(OC)c2)cc1O
Show InChI InChI=1S/C17H20O6/c1-19-14-6-5-11(7-13(14)18)10-23-12-8-15(20-2)17(22-4)16(9-12)21-3/h5-9,18H,10H2,1-4H3
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n/an/a 3.60E+4n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Concentration required to cause 50% decrease in the binding of [3H]colchicine from purified porcine tubulin.


Bioorg Med Chem Lett 11: 51-4 (2001)


BindingDB Entry DOI: 10.7270/Q2C82CHT
More data for this
Ligand-Target Pair
Tubulin alpha-1A/beta chain


(Sus scrofa (Pig))
BDBM50095326
PNG
(2-Methoxy-5-(3,4,5-trimethoxy-phenoxy)-phenol | CH...)
Show SMILES COc1ccc(Oc2cc(OC)c(OC)c(OC)c2)cc1O
Show InChI InChI=1S/C16H18O6/c1-18-13-6-5-10(7-12(13)17)22-11-8-14(19-2)16(21-4)15(9-11)20-3/h5-9,17H,1-4H3
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n/an/a 3.60E+4n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Concentration required to cause 50% decrease in the binding of [3H]colchicine from purified porcine tubulin.


Bioorg Med Chem Lett 11: 51-4 (2001)


BindingDB Entry DOI: 10.7270/Q2C82CHT
More data for this
Ligand-Target Pair
Tubulin alpha-1A/beta chain


(Sus scrofa (Pig))
BDBM50134459
PNG
(2-(3-Hydroxy-4-methoxy-phenyl)-6,7,8-trimethoxy-ch...)
Show SMILES COc1ccc(cc1O)-c1cc(=O)c2cc(OC)c(OC)c(OC)c2o1
Show InChI InChI=1S/C19H18O7/c1-22-14-6-5-10(7-13(14)21)15-9-12(20)11-8-16(23-2)18(24-3)19(25-4)17(11)26-15/h5-9,21H,1-4H3
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n/an/a 4.00E+4n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]colchicine to porcine tubulin


Bioorg Med Chem Lett 13: 3759-63 (2003)


BindingDB Entry DOI: 10.7270/Q2G73D48
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50485731
PNG
(CHEMBL2158370)
Show SMILES COc1ccc(\C=C(/C#N)c2cc(OC)c(OC)c(OC)c2)cc1I
Show InChI InChI=1S/C19H18INO4/c1-22-16-6-5-12(8-15(16)20)7-14(11-21)13-9-17(23-2)19(25-4)18(10-13)24-3/h5-10H,1-4H3/b14-7+
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n/an/a 4.38E+4n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Inhibition of pig tubulin polymerization by spectrophotometry


Bioorg Med Chem Lett 22: 6731-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.089
BindingDB Entry DOI: 10.7270/Q2NS0XRG
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50134451
PNG
(2-[1-(3-Fluoro-4-methoxy-phenyl)-meth-(Z)-ylidene]...)
Show SMILES COc1ccc(\C=C2/Oc3c(cc(OC)c(OC)c3OC)C2=O)cc1F
Show InChI InChI=1S/C19H17FO6/c1-22-13-6-5-10(7-12(13)20)8-14-16(21)11-9-15(23-2)18(24-3)19(25-4)17(11)26-14/h5-9H,1-4H3/b14-8-
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n/an/a>5.00E+4n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Concentration that cause a 50% inhibition in tubulin assembly as measured by an increase inturbidity using microtubule assembly assay


Bioorg Med Chem Lett 13: 3759-63 (2003)


BindingDB Entry DOI: 10.7270/Q2G73D48
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50134462
PNG
(2-(3-Fluoro-4-methoxy-phenyl)-5,6,7-trimethoxy-chr...)
Show SMILES COc1ccc(cc1F)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1
Show InChI InChI=1S/C19H17FO6/c1-22-13-6-5-10(7-11(13)20)14-8-12(21)17-15(26-14)9-16(23-2)18(24-3)19(17)25-4/h5-9H,1-4H3
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Cardiff University

Curated by ChEMBL


Assay Description
Concentration that cause a 50% inhibition in tubulin assembly as measured by an increase inturbidity using microtubule assembly assay


Bioorg Med Chem Lett 13: 3759-63 (2003)


BindingDB Entry DOI: 10.7270/Q2G73D48
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50134452
PNG
(2-[1-(3-Hydroxy-4-methoxy-phenyl)-meth-(Z)-ylidene...)
Show SMILES COc1ccc(\C=C2/Oc3cc(OC)c(OC)c(OC)c3C2=O)cc1O
Show InChI InChI=1S/C19H18O7/c1-22-12-6-5-10(7-11(12)20)8-14-17(21)16-13(26-14)9-15(23-2)18(24-3)19(16)25-4/h5-9,20H,1-4H3/b14-8-
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Cardiff University

Curated by ChEMBL


Assay Description
Concentration that cause a 50% inhibition in tubulin assembly as measured by an increase inturbidity using microtubule assembly assay


Bioorg Med Chem Lett 13: 3759-63 (2003)


BindingDB Entry DOI: 10.7270/Q2G73D48
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50134461
PNG
(2-(3-Hydroxy-4-methoxy-phenyl)-5,6,7-trimethoxy-ch...)
Show SMILES COc1ccc(cc1O)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1
Show InChI InChI=1S/C19H18O7/c1-22-13-6-5-10(7-11(13)20)14-8-12(21)17-15(26-14)9-16(23-2)18(24-3)19(17)25-4/h5-9,20H,1-4H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Concentration that cause a 50% inhibition in tubulin assembly as measured by an increase inturbidity using microtubule assembly assay


Bioorg Med Chem Lett 13: 3759-63 (2003)


BindingDB Entry DOI: 10.7270/Q2G73D48
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50134460
PNG
(2-[1-(3,4-Dihydroxy-phenyl)-meth-(Z)-ylidene]-4,5,...)
Show SMILES COc1cc2O\C(=C/c3ccc(O)c(O)c3)C(=O)c2c(OC)c1OC
Show InChI InChI=1S/C18H16O7/c1-22-14-8-12-15(18(24-3)17(14)23-2)16(21)13(25-12)7-9-4-5-10(19)11(20)6-9/h4-8,19-20H,1-3H3/b13-7-
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n/an/a>5.00E+4n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Concentration that cause a 50% inhibition in tubulin assembly as measured by an increase inturbidity using microtubule assembly assay


Bioorg Med Chem Lett 13: 3759-63 (2003)


BindingDB Entry DOI: 10.7270/Q2G73D48
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50134458
PNG
(2-(3-Fluoro-4-methoxy-phenyl)-6,7,8-trimethoxy-chr...)
Show SMILES COc1ccc(cc1F)-c1cc(=O)c2cc(OC)c(OC)c(OC)c2o1
Show InChI InChI=1S/C19H17FO6/c1-22-14-6-5-10(7-12(14)20)15-9-13(21)11-8-16(23-2)18(24-3)19(25-4)17(11)26-15/h5-9H,1-4H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Concentration that cause a 50% inhibition in tubulin assembly as measured by an increase inturbidity using microtubule assembly assay


Bioorg Med Chem Lett 13: 3759-63 (2003)


BindingDB Entry DOI: 10.7270/Q2G73D48
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50134454
PNG
(2-[1-(3-Fluoro-4-methoxy-phenyl)-meth-(Z)-ylidene]...)
Show SMILES COc1ccc(\C=C2/Oc3cc(OC)c(OC)c(OC)c3C2=O)cc1F
Show InChI InChI=1S/C19H17FO6/c1-22-12-6-5-10(7-11(12)20)8-14-17(21)16-13(26-14)9-15(23-2)18(24-3)19(16)25-4/h5-9H,1-4H3/b14-8-
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n/an/a>5.00E+4n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Concentration that cause a 50% inhibition in tubulin assembly as measured by an increase inturbidity using microtubule assembly assay


Bioorg Med Chem Lett 13: 3759-63 (2003)


BindingDB Entry DOI: 10.7270/Q2G73D48
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50134456
PNG
(2-[1-(3,4-Dihydroxy-phenyl)-meth-(Z)-ylidene]-5,6,...)
Show SMILES COc1cc2C(=O)\C(Oc2c(OC)c1OC)=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C18H16O7/c1-22-14-8-10-15(21)13(7-9-4-5-11(19)12(20)6-9)25-16(10)18(24-3)17(14)23-2/h4-8,19-20H,1-3H3/b13-7-
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n/an/a>5.00E+4n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Concentration that cause a 50% inhibition in tubulin assembly as measured by an increase inturbidity using microtubule assembly assay


Bioorg Med Chem Lett 13: 3759-63 (2003)


BindingDB Entry DOI: 10.7270/Q2G73D48
More data for this
Ligand-Target Pair
Tubulin alpha-1A/beta chain


(Sus scrofa (Pig))
BDBM50134450
PNG
(2-[1-(3-Hydroxy-4-methoxy-phenyl)-meth-(Z)-ylidene...)
Show SMILES COc1ccc(\C=C2/Oc3c(cc(OC)c(OC)c3OC)C2=O)cc1O
Show InChI InChI=1S/C19H18O7/c1-22-13-6-5-10(7-12(13)20)8-14-16(21)11-9-15(23-2)18(24-3)19(25-4)17(11)26-14/h5-9,20H,1-4H3/b14-8-
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n/an/a 6.00E+4n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]colchicine to porcine tubulin


Bioorg Med Chem Lett 13: 3759-63 (2003)


BindingDB Entry DOI: 10.7270/Q2G73D48
More data for this
Ligand-Target Pair
Tubulin alpha-1A/beta chain


(Sus scrofa (Pig))
BDBM50095319
PNG
(2-Methoxy-5-(3,4,5-trimethoxy-phenylamino)-phenol ...)
Show SMILES COc1ccc(Nc2cc(OC)c(OC)c(OC)c2)cc1O
Show InChI InChI=1S/C16H19NO5/c1-19-13-6-5-10(7-12(13)18)17-11-8-14(20-2)16(22-4)15(9-11)21-3/h5-9,17-18H,1-4H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Effect on tubulin binding and the concentration required to cause 50% decrease in tubulin assembly at 350 nm.


Bioorg Med Chem Lett 11: 51-4 (2001)


BindingDB Entry DOI: 10.7270/Q2C82CHT
More data for this
Ligand-Target Pair
Tubulin alpha-1A/beta chain


(Sus scrofa (Pig))
BDBM50095320
PNG
(2-Methoxy-5-(3,4,5-trimethoxy-benzyloxy)-phenol | ...)
Show SMILES COc1ccc(OCc2cc(OC)c(OC)c(OC)c2)cc1O
Show InChI InChI=1S/C17H20O6/c1-19-14-6-5-12(9-13(14)18)23-10-11-7-15(20-2)17(22-4)16(8-11)21-3/h5-9,18H,10H2,1-4H3
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n/an/a 2.26E+5n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Concentration required to cause 50% decrease in the binding of [3H]colchicine from purified porcine tubulin.


Bioorg Med Chem Lett 11: 51-4 (2001)


BindingDB Entry DOI: 10.7270/Q2C82CHT
More data for this
Ligand-Target Pair
Tubulin alpha-1A/beta chain


(Sus scrofa (Pig))
BDBM50095319
PNG
(2-Methoxy-5-(3,4,5-trimethoxy-phenylamino)-phenol ...)
Show SMILES COc1ccc(Nc2cc(OC)c(OC)c(OC)c2)cc1O
Show InChI InChI=1S/C16H19NO5/c1-19-13-6-5-10(7-12(13)18)17-11-8-14(20-2)16(22-4)15(9-11)21-3/h5-9,17-18H,1-4H3
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n/an/a 2.98E+5n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Concentration required to cause 50% decrease in the binding of [3H]colchicine from purified porcine tubulin.


Bioorg Med Chem Lett 11: 51-4 (2001)


BindingDB Entry DOI: 10.7270/Q2C82CHT
More data for this
Ligand-Target Pair