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Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with Target = 'Beta tubulin' AND taxid = 5661   
Target
(Institution)
LigandTarget
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
Beta tubulin


(Leishmania donovani)
BDBM50012278
PNG
((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)
Show SMILES CC[C@]1(O)C[C@@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC
Show InChI InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


Bioorg Med Chem Lett 15: 1051-4 (2005)

More data for this
Ligand-Target Pair
Beta tubulin


(Leishmania donovani)
BDBM50170567
PNG
((3-Amino-6-methyl-benzo[b]thiophen-2-yl)-(3,4,5-tr...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)c1sc2cc(C)ccc2c1N
Show InChI InChI=1S/C19H19NO4S/c1-10-5-6-12-15(7-10)25-19(16(12)20)17(21)11-8-13(22-2)18(24-4)14(9-11)23-3/h5-9H,20H2,1-4H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Universitá di Ferrara

Curated by ChEMBL


Assay Description
Concentration required to inhibit tubulin polymerization at 10 uM


Bioorg Med Chem Lett 15: 4048-52 (2005)

More data for this
Ligand-Target Pair
Beta tubulin


(Leishmania donovani)
BDBM50156489
PNG
(5-((S)-2-Oxo-4-phenyl-imidazolidine-1-sulfonyl)-2,...)
Show SMILES CCOC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1C[C@@H](NC1=O)c1ccccc1
Show InChI InChI=1S/C20H21N3O5S/c1-2-28-20(25)22-11-10-15-12-16(8-9-18(15)22)29(26,27)23-13-17(21-19(23)24)14-6-4-3-5-7-14/h3-9,12,17H,2,10-11,13H2,1H3,(H,21,24)/t17-/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



LG Life Sciences, Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of tubulin polymerisation


Bioorg Med Chem Lett 14: 6075-8 (2004)

More data for this
Ligand-Target Pair
Beta tubulin


(Leishmania donovani)
BDBM50156490
PNG
((S)-1-[1-(4-Amino-benzoyl)-2,3-dihydro-1H-indole-5...)
Show SMILES Nc1ccc(cc1)C(=O)N1CCc2cc(ccc12)S(=O)(=O)N1C[C@@H](NC1=O)c1ccccc1
Show InChI InChI=1S/C24H22N4O4S/c25-19-8-6-17(7-9-19)23(29)27-13-12-18-14-20(10-11-22(18)27)33(31,32)28-15-21(26-24(28)30)16-4-2-1-3-5-16/h1-11,14,21H,12-13,15,25H2,(H,26,30)/t21-/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



LG Life Sciences, Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of tubulin polymerisation


Bioorg Med Chem Lett 14: 6075-8 (2004)

More data for this
Ligand-Target Pair
Beta tubulin


(Leishmania donovani)
BDBM50156492
PNG
((S)-4-Phenyl-1-[1-(thiophene-2-carbonyl)-2,3-dihyd...)
Show SMILES O=C(N1CCc2cc(ccc12)S(=O)(=O)N1C[C@@H](NC1=O)c1ccccc1)c1cccs1
Show InChI InChI=1S/C22H19N3O4S2/c26-21(20-7-4-12-30-20)24-11-10-16-13-17(8-9-19(16)24)31(28,29)25-14-18(23-22(25)27)15-5-2-1-3-6-15/h1-9,12-13,18H,10-11,14H2,(H,23,27)/t18-/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



LG Life Sciences, Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of tubulin polymerisation


Bioorg Med Chem Lett 14: 6075-8 (2004)

More data for this
Ligand-Target Pair
Beta tubulin


(Leishmania donovani)
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 1.90E+3n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


Bioorg Med Chem Lett 15: 1051-4 (2005)

More data for this
Ligand-Target Pair
Beta tubulin


(Leishmania donovani)
BDBM50156487
PNG
(5-((S)-2-Oxo-4-phenyl-imidazolidine-1-sulfonyl)-2,...)
Show SMILES O=C(NC1CCCCC1)N1CCc2cc(ccc12)S(=O)(=O)N1C[C@@H](NC1=O)c1ccccc1
Show InChI InChI=1S/C24H28N4O4S/c29-23(25-19-9-5-2-6-10-19)27-14-13-18-15-20(11-12-22(18)27)33(31,32)28-16-21(26-24(28)30)17-7-3-1-4-8-17/h1,3-4,7-8,11-12,15,19,21H,2,5-6,9-10,13-14,16H2,(H,25,29)(H,26,30)/t21-/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



LG Life Sciences, Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of tubulin polymerisation


Bioorg Med Chem Lett 14: 6075-8 (2004)

More data for this
Ligand-Target Pair
Beta tubulin


(Leishmania donovani)
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 2.00E+3n/an/an/an/an/an/a



Universitá di Ferrara

Curated by ChEMBL


Assay Description
Concentration required to inhibit tubulin polymerization at 10 uM


Bioorg Med Chem Lett 15: 4048-52 (2005)

More data for this
Ligand-Target Pair
Beta tubulin


(Leishmania donovani)
BDBM50170572
PNG
((2-Amino-benzo[b]thiophen-3-yl)-(3,4,5-trimethoxy-...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)c1c(N)sc2ccccc12
Show InChI InChI=1S/C18H17NO4S/c1-21-12-8-10(9-13(22-2)17(12)23-3)16(20)15-11-6-4-5-7-14(11)24-18(15)19/h4-9H,19H2,1-3H3
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n/an/a 3.10E+3n/an/an/an/an/an/a



Universitá di Ferrara

Curated by ChEMBL


Assay Description
Concentration required to inhibit tubulin polymerization at 10 uM


Bioorg Med Chem Lett 15: 4048-52 (2005)

More data for this
Ligand-Target Pair
Beta tubulin


(Leishmania donovani)
BDBM50156480
PNG
((S)-4-Phenyl-1-[1-(2-phenylamino-acetyl)-2,3-dihyd...)
Show SMILES O=C(CNc1ccccc1)N1CCc2cc(ccc12)S(=O)(=O)N1C[C@@H](NC1=O)c1ccccc1
Show InChI InChI=1S/C25H24N4O4S/c30-24(16-26-20-9-5-2-6-10-20)28-14-13-19-15-21(11-12-23(19)28)34(32,33)29-17-22(27-25(29)31)18-7-3-1-4-8-18/h1-12,15,22,26H,13-14,16-17H2,(H,27,31)/t22-/m1/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



LG Life Sciences, Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of tubulin polymerisation


Bioorg Med Chem Lett 14: 6075-8 (2004)

More data for this
Ligand-Target Pair
Beta tubulin


(Leishmania donovani)
BDBM50156488
PNG
(1-[1-(Furan-2-carbonyl)-2,3-dihydro-1H-indole-5-su...)
Show SMILES O=C(N1CCc2cc(ccc12)S(=O)(=O)N1CC(NC1=O)c1cccs1)c1ccco1
Show InChI InChI=1S/C20H17N3O5S2/c24-19(17-3-1-9-28-17)22-8-7-13-11-14(5-6-16(13)22)30(26,27)23-12-15(21-20(23)25)18-4-2-10-29-18/h1-6,9-11,15H,7-8,12H2,(H,21,25)
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n/an/a 4.00E+3n/an/an/an/an/an/a



LG Life Sciences, Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of tubulin polymerisation


Bioorg Med Chem Lett 14: 6075-8 (2004)

More data for this
Ligand-Target Pair
Beta tubulin


(Leishmania donovani)
BDBM50170571
PNG
((3-Amino-benzo[b]thiophen-2-yl)-(3,4,5-trimethoxy-...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)c1sc2ccccc2c1N
Show InChI InChI=1S/C18H17NO4S/c1-21-12-8-10(9-13(22-2)17(12)23-3)16(20)18-15(19)11-6-4-5-7-14(11)24-18/h4-9H,19H2,1-3H3
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n/an/a 4.20E+3n/an/an/an/an/an/a



Universitá di Ferrara

Curated by ChEMBL


Assay Description
Concentration required to inhibit tubulin polymerization at 10 uM


Bioorg Med Chem Lett 15: 4048-52 (2005)

More data for this
Ligand-Target Pair
Beta tubulin


(Leishmania donovani)
BDBM50156482
PNG
(4-Amino-N-[2-chloro-4-((S)-2-oxo-4-phenyl-imidazol...)
Show SMILES Nc1ccc(cc1)C(=O)Nc1ccc(cc1Cl)S(=O)(=O)N1C[C@@H](NC1=O)c1ccccc1
Show InChI InChI=1S/C22H19ClN4O4S/c23-18-12-17(10-11-19(18)25-21(28)15-6-8-16(24)9-7-15)32(30,31)27-13-20(26-22(27)29)14-4-2-1-3-5-14/h1-12,20H,13,24H2,(H,25,28)(H,26,29)/t20-/m1/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



LG Life Sciences, Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of tubulin polymerisation


Bioorg Med Chem Lett 14: 6075-8 (2004)

More data for this
Ligand-Target Pair
Beta tubulin


(Leishmania donovani)
BDBM50156494
PNG
(CHEMBL187414 | [2-Methyl-4-((S)-2-oxo-4-phenyl-imi...)
Show SMILES CCOC(=O)Nc1ccc(cc1C)S(=O)(=O)N1C[C@@H](NC1=O)c1ccccc1
Show InChI InChI=1S/C19H21N3O5S/c1-3-27-19(24)21-16-10-9-15(11-13(16)2)28(25,26)22-12-17(20-18(22)23)14-7-5-4-6-8-14/h4-11,17H,3,12H2,1-2H3,(H,20,23)(H,21,24)/t17-/m1/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



LG Life Sciences, Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of tubulin polymerisation


Bioorg Med Chem Lett 14: 6075-8 (2004)

More data for this
Ligand-Target Pair
Beta tubulin


(Leishmania donovani)
BDBM50160802
PNG
(2,4-Bis-(4-hydroxy-benzyl)-3-[2-(3-hydroxy-phenyl)...)
Show SMILES COc1cc(O)c(Cc2ccc(O)cc2)c(CCc2cccc(O)c2)c1Cc1ccc(O)cc1
Show InChI InChI=1S/C29H28O5/c1-34-29-18-28(33)26(16-20-5-10-22(30)11-6-20)25(14-9-19-3-2-4-24(32)15-19)27(29)17-21-7-12-23(31)13-8-21/h2-8,10-13,15,18,30-33H,9,14,16-17H2,1H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


Bioorg Med Chem Lett 15: 1051-4 (2005)

More data for this
Ligand-Target Pair
Beta tubulin


(Leishmania donovani)
BDBM50160801
PNG
(4-(4-Hydroxy-benzyl)-3-[2-(3-hydroxy-phenyl)-ethyl...)
Show SMILES COc1cc(O)cc(CCc2cccc(O)c2)c1Cc1ccc(O)cc1
Show InChI InChI=1S/C22H22O4/c1-26-22-14-20(25)13-17(8-5-15-3-2-4-19(24)11-15)21(22)12-16-6-9-18(23)10-7-16/h2-4,6-7,9-11,13-14,23-25H,5,8,12H2,1H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


Bioorg Med Chem Lett 15: 1051-4 (2005)

More data for this
Ligand-Target Pair
Beta tubulin


(Leishmania donovani)
BDBM50156481
PNG
((S)-4-Phenyl-1-[1-(pyridine-4-carbonyl)-2,3-dihydr...)
Show SMILES O=C(N1CCc2cc(ccc12)S(=O)(=O)N1C[C@@H](NC1=O)c1ccccc1)c1ccncc1
Show InChI InChI=1S/C23H20N4O4S/c28-22(17-8-11-24-12-9-17)26-13-10-18-14-19(6-7-21(18)26)32(30,31)27-15-20(25-23(27)29)16-4-2-1-3-5-16/h1-9,11-12,14,20H,10,13,15H2,(H,25,29)/t20-/m1/s1
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n/an/a 1.03E+4n/an/an/an/an/an/a



LG Life Sciences, Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of tubulin polymerisation


Bioorg Med Chem Lett 14: 6075-8 (2004)

More data for this
Ligand-Target Pair
Beta tubulin


(Leishmania donovani)
BDBM50156485
PNG
(1-[1-(4-Amino-benzoyl)-2,3-dihydro-1H-indole-5-sul...)
Show SMILES Nc1ccc(cc1)C(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CC(NC1=O)c1cccs1
Show InChI InChI=1S/C22H20N4O4S2/c23-16-5-3-14(4-6-16)21(27)25-10-9-15-12-17(7-8-19(15)25)32(29,30)26-13-18(24-22(26)28)20-2-1-11-31-20/h1-8,11-12,18H,9-10,13,23H2,(H,24,28)
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n/an/a 1.05E+4n/an/an/an/an/an/a



LG Life Sciences, Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of tubulin polymerisation


Bioorg Med Chem Lett 14: 6075-8 (2004)

More data for this
Ligand-Target Pair
Beta tubulin


(Leishmania donovani)
BDBM50156483
PNG
((S)-1-[1-(2,6-Dichloro-pyridine-4-carbonyl)-2,3-di...)
Show SMILES Clc1cc(cc(Cl)n1)C(=O)N1CCc2cc(ccc12)S(=O)(=O)N1C[C@@H](NC1=O)c1ccccc1
Show InChI InChI=1S/C23H18Cl2N4O4S/c24-20-11-16(12-21(25)27-20)22(30)28-9-8-15-10-17(6-7-19(15)28)34(32,33)29-13-18(26-23(29)31)14-4-2-1-3-5-14/h1-7,10-12,18H,8-9,13H2,(H,26,31)/t18-/m1/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



LG Life Sciences, Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of tubulin polymerisation


Bioorg Med Chem Lett 14: 6075-8 (2004)

More data for this
Ligand-Target Pair
Beta tubulin


(Leishmania donovani)
BDBM50156493
PNG
(1-[1-(4-Amino-benzoyl)-2,3-dihydro-1H-indole-5-sul...)
Show SMILES Nc1ccc(cc1)C(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CC(NC1=O)c1ccc(F)cc1
Show InChI InChI=1S/C24H21FN4O4S/c25-18-5-1-15(2-6-18)21-14-29(24(31)27-21)34(32,33)20-9-10-22-17(13-20)11-12-28(22)23(30)16-3-7-19(26)8-4-16/h1-10,13,21H,11-12,14,26H2,(H,27,31)
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n/an/a 2.50E+4n/an/an/an/an/an/a



LG Life Sciences, Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of tubulin polymerisation


Bioorg Med Chem Lett 14: 6075-8 (2004)

More data for this
Ligand-Target Pair
Beta tubulin


(Leishmania donovani)
BDBM50156486
PNG
(5-((S)-2-Oxo-4-phenyl-imidazolidine-1-sulfonyl)-2,...)
Show SMILES CN1CCN(CCOC(=O)N2CCc3cc(ccc23)S(=O)(=O)N2C[C@@H](NC2=O)c2ccccc2)CC1
Show InChI InChI=1S/C25H31N5O5S/c1-27-11-13-28(14-12-27)15-16-35-25(32)29-10-9-20-17-21(7-8-23(20)29)36(33,34)30-18-22(26-24(30)31)19-5-3-2-4-6-19/h2-8,17,22H,9-16,18H2,1H3,(H,26,31)/t22-/m1/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



LG Life Sciences, Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of tubulin polymerisation


Bioorg Med Chem Lett 14: 6075-8 (2004)

More data for this
Ligand-Target Pair
Beta tubulin


(Leishmania donovani)
BDBM50160803
PNG
(4,4''-Dimethoxy-9,10,9'',10''-tetrahydro-[1,3'']bi...)
Show SMILES COc1cc(O)c(c2CCc3cc(O)ccc3-c12)-c1c(O)cc2CCc3cc(O)ccc3-c2c1OC
Show InChI InChI=1S/C30H26O6/c1-35-25-14-24(34)28(22-8-5-16-12-19(32)7-10-21(16)27(22)25)29-23(33)13-17-4-3-15-11-18(31)6-9-20(15)26(17)30(29)36-2/h6-7,9-14,31-34H,3-5,8H2,1-2H3
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n/an/a 3.00E+4n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


Bioorg Med Chem Lett 15: 1051-4 (2005)

More data for this
Ligand-Target Pair
Beta tubulin


(Leishmania donovani)
BDBM50160804
PNG
(4,4''-Dimethoxy-[1,1'']biphenanthrenyl-2,7,2'',7''...)
Show SMILES COc1cc(O)c(-c2c(O)cc(OC)c3c2ccc2cc(O)ccc32)c2ccc3cc(O)ccc3c12
Show InChI InChI=1S/C30H22O6/c1-35-25-13-23(33)29(21-7-3-15-11-17(31)5-9-19(15)27(21)25)30-22-8-4-16-12-18(32)6-10-20(16)28(22)26(36-2)14-24(30)34/h3-14,31-34H,1-2H3
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n/an/a 3.00E+4n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


Bioorg Med Chem Lett 15: 1051-4 (2005)

More data for this
Ligand-Target Pair
Beta tubulin


(Leishmania donovani)
BDBM50160798
PNG
(4,4''-Dimethoxy-9,10-dihydro-[1,1'']biphenanthreny...)
Show SMILES COc1cc(O)c(c2CCc3cc(O)ccc3-c12)-c1c(O)cc(OC)c2c1ccc1cc(O)ccc21
Show InChI InChI=1S/C30H24O6/c1-35-25-13-23(33)29(21-7-3-15-11-17(31)5-9-19(15)27(21)25)30-22-8-4-16-12-18(32)6-10-20(16)28(22)26(36-2)14-24(30)34/h3,5-7,9-14,31-34H,4,8H2,1-2H3
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n/an/a 3.00E+4n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


Bioorg Med Chem Lett 15: 1051-4 (2005)

More data for this
Ligand-Target Pair
Beta tubulin


(Leishmania donovani)
BDBM50160800
PNG
(1,3-Bis-(4-hydroxy-benzyl)-4-methoxy-9,10-dihydro-...)
Show SMILES COc1c(Cc2ccc(O)cc2)c(O)c(Cc2ccc(O)cc2)c2CCc3cc(O)ccc3-c12
Show InChI InChI=1S/C29H26O5/c1-34-29-26(15-18-4-9-21(31)10-5-18)28(33)25(14-17-2-7-20(30)8-3-17)24-12-6-19-16-22(32)11-13-23(19)27(24)29/h2-5,7-11,13,16,30-33H,6,12,14-15H2,1H3
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n/an/a 3.00E+4n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


Bioorg Med Chem Lett 15: 1051-4 (2005)

More data for this
Ligand-Target Pair
Beta tubulin


(Leishmania donovani)
BDBM50156479
PNG
(5-((S)-2-Oxo-4-phenyl-imidazolidine-1-sulfonyl)-2,...)
Show SMILES O=C(NCCN1CCOCC1)N1CCc2cc(ccc12)S(=O)(=O)N1C[C@@H](NC1=O)c1ccccc1
Show InChI InChI=1S/C24H29N5O5S/c30-23(25-9-11-27-12-14-34-15-13-27)28-10-8-19-16-20(6-7-22(19)28)35(32,33)29-17-21(26-24(29)31)18-4-2-1-3-5-18/h1-7,16,21H,8-15,17H2,(H,25,30)(H,26,31)/t21-/m1/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



LG Life Sciences, Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of tubulin polymerisation


Bioorg Med Chem Lett 14: 6075-8 (2004)

More data for this
Ligand-Target Pair
Beta tubulin


(Leishmania donovani)
BDBM50160805
PNG
(1-(4-Hydroxy-benzyl)-4,8-dimethoxy-phenanthrene-2,...)
Show SMILES COc1cc(O)c(Cc2ccc(O)cc2)c2ccc3c(OC)c(O)ccc3c12
Show InChI InChI=1S/C23H20O5/c1-27-21-12-20(26)18(11-13-3-5-14(24)6-4-13)16-7-8-17-15(22(16)21)9-10-19(25)23(17)28-2/h3-10,12,24-26H,11H2,1-2H3
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n/an/a 3.00E+4n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


Bioorg Med Chem Lett 15: 1051-4 (2005)

More data for this
Ligand-Target Pair
Beta tubulin


(Leishmania donovani)
BDBM50156484
PNG
((S)-1-[1-(5-Nitro-furan-2-carbonyl)-2,3-dihydro-1H...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)N1CCc2cc(ccc12)S(=O)(=O)N1C[C@@H](NC1=O)c1ccccc1
Show InChI InChI=1S/C22H18N4O7S/c27-21(19-8-9-20(33-19)26(29)30)24-11-10-15-12-16(6-7-18(15)24)34(31,32)25-13-17(23-22(25)28)14-4-2-1-3-5-14/h1-9,12,17H,10-11,13H2,(H,23,28)/t17-/m1/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



LG Life Sciences, Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of tubulin polymerisation


Bioorg Med Chem Lett 14: 6075-8 (2004)

More data for this
Ligand-Target Pair
Beta tubulin


(Leishmania donovani)
BDBM50170569
PNG
((2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophen-3-yl)...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)c1c(N)sc2CCCCc12
Show InChI InChI=1S/C18H21NO4S/c1-21-12-8-10(9-13(22-2)17(12)23-3)16(20)15-11-6-4-5-7-14(11)24-18(15)19/h8-9H,4-7,19H2,1-3H3
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n/an/a>4.00E+4n/an/an/an/an/an/a



Universitá di Ferrara

Curated by ChEMBL


Assay Description
Concentration required to inhibit tubulin polymerization at 10 uM


Bioorg Med Chem Lett 15: 4048-52 (2005)

More data for this
Ligand-Target Pair
Beta tubulin


(Leishmania donovani)
BDBM50160799
PNG
(8-(4-Hydroxy-benzyl)-7-methoxy-9,10-dihydro-phenan...)
Show SMILES COc1cc(O)c-2c(CCc3cc(O)ccc-23)c1Cc1ccc(O)cc1
Show InChI InChI=1S/C22H20O4/c1-26-21-12-20(25)22-17-9-7-16(24)11-14(17)4-8-18(22)19(21)10-13-2-5-15(23)6-3-13/h2-3,5-7,9,11-12,23-25H,4,8,10H2,1H3
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n/an/a 3.00E+5n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


Bioorg Med Chem Lett 15: 1051-4 (2005)

More data for this
Ligand-Target Pair