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Compile Data Set for Download or QSAR

Found 110 hits Enz. Inhib. hit(s) with Target = 'Tubulin alpha chain /beta chain' AND taxid = 9913   
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
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50369013
PNG
(CHEMBL1627442)
Show SMILES CCOc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O
Show InChI InChI=1S/C20H28O3/c1-3-23-18-11-15-12(10-17(18)21)4-5-14-13(15)8-9-20(2)16(14)6-7-19(20)22/h10-11,13-14,16,19,21-22H,3-9H2,1-2H3/t13-,14+,16-,19-,20-/m0/s1
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n/an/a 660n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of polymerization of purified bovine tubulin


J Med Chem 43: 2419-29 (2000)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50125182
PNG
(CHEMBL3623606)
Show SMILES CCn1ccc2c1ccc1nc(cc(OC(=O)OCc3ccccc3)c21)-c1ccccc1
Show InChI InChI=1S/C27H22N2O3/c1-2-29-16-15-21-24(29)14-13-22-26(21)25(17-23(28-22)20-11-7-4-8-12-20)32-27(30)31-18-19-9-5-3-6-10-19/h3-17H,2,18H2,1H3
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n/an/a 740n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization assessed as protein assembly after 20 mins by turbidimetric analysis


J Med Chem 58: 7991-8010 (2015)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50125226
PNG
(CHEMBL3623611)
Show SMILES CCOC(=O)CCn1ccc2c1ccc1[nH]c(cc(=O)c21)-c1ccccc1
Show InChI InChI=1S/C22H20N2O3/c1-2-27-21(26)11-13-24-12-10-16-19(24)9-8-17-22(16)20(25)14-18(23-17)15-6-4-3-5-7-15/h3-10,12,14H,2,11,13H2,1H3,(H,23,25)
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n/an/a 750n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization assessed as protein assembly after 20 mins by turbidimetric analysis


J Med Chem 58: 7991-8010 (2015)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50089336
PNG
(9-Ethoxy-12a-methyl-1,2,3,3a,3b,4,10b,11,12,12a-de...)
Show SMILES CCOc1cc2C3CC[C@]4(C)[C@@H](O)CCC4C3CC=Cc2cc1O
Show InChI InChI=1S/C21H28O3/c1-3-24-19-12-16-13(11-18(19)22)5-4-6-15-14(16)9-10-21(2)17(15)7-8-20(21)23/h4-5,11-12,14-15,17,20,22-23H,3,6-10H2,1-2H3/t14?,15?,17?,20-,21-/m0/s1
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n/an/a 850n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of polymerization of purified bovine tubulin


J Med Chem 43: 2419-29 (2000)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50089339
PNG
(9-Ethoxy-12a-methyl-1,2,3,3a,3b,4,5,6,10b,11,12,12...)
Show SMILES CCOc1cc2C3CC[C@]4(C)[C@@H](O)CCC4C3CCCc2cc1O
Show InChI InChI=1S/C21H30O3/c1-3-24-19-12-16-13(11-18(19)22)5-4-6-15-14(16)9-10-21(2)17(15)7-8-20(21)23/h11-12,14-15,17,20,22-23H,3-10H2,1-2H3/t14?,15?,17?,20-,21-/m0/s1
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n/an/a 970n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of polymerization of purified bovine tubulin


J Med Chem 43: 2419-29 (2000)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50125113
PNG
(CHEMBL3623600)
Show SMILES CCC(=O)n1ccc2c1ccc1[nH]c(cc(=O)c21)-c1ccccc1
Show InChI InChI=1S/C20H16N2O2/c1-2-19(24)22-11-10-14-17(22)9-8-15-20(14)18(23)12-16(21-15)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,21,23)
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n/an/a 990n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization assessed as protein assembly after 20 mins by turbidimetric analysis


J Med Chem 58: 7991-8010 (2015)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50125114
PNG
(CHEMBL3623601)
Show SMILES O=C(C1CC1)n1ccc2c1ccc1[nH]c(cc(=O)c21)-c1ccccc1
Show InChI InChI=1S/C21H16N2O2/c24-19-12-17(13-4-2-1-3-5-13)22-16-8-9-18-15(20(16)19)10-11-23(18)21(25)14-6-7-14/h1-5,8-12,14H,6-7H2,(H,22,24)
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n/an/a 990n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization assessed as protein assembly after 20 mins by turbidimetric analysis


J Med Chem 58: 7991-8010 (2015)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
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 1.20E+3n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization assessed as protein assembly after 20 mins by turbidimetric analysis


J Med Chem 58: 7991-8010 (2015)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50125184
PNG
(CHEMBL3623607)
Show SMILES OCCCn1ccc2c1ccc1[nH]c(cc(=O)c21)-c1ccccc1
Show InChI InChI=1S/C20H18N2O2/c23-12-4-10-22-11-9-15-18(22)8-7-16-20(15)19(24)13-17(21-16)14-5-2-1-3-6-14/h1-3,5-9,11,13,23H,4,10,12H2,(H,21,24)
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization assessed as protein assembly after 20 mins by turbidimetric analysis


J Med Chem 58: 7991-8010 (2015)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50125090
PNG
(CHEMBL3623597)
Show SMILES O=c1cc([nH]c2ccc3n(CCC#N)ccc3c12)-c1ccccc1
Show InChI InChI=1S/C20H15N3O/c21-10-4-11-23-12-9-15-18(23)8-7-16-20(15)19(24)13-17(22-16)14-5-2-1-3-6-14/h1-3,5-9,12-13H,4,11H2,(H,22,24)
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization assessed as protein assembly after 20 mins by turbidimetric analysis


J Med Chem 58: 7991-8010 (2015)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50127073
PNG
(5-[2-(2,5-Dimethoxy-phenyl)-acetyl]-N-[2-(4-fluoro...)
Show SMILES COc1ccc(OC)c(CC(=O)c2ccc(O)c(c2)C(=O)NCCc2ccc(F)cc2)c1
Show InChI InChI=1S/C25H24FNO5/c1-31-20-8-10-24(32-2)18(13-20)15-23(29)17-5-9-22(28)21(14-17)25(30)27-12-11-16-3-6-19(26)7-4-16/h3-10,13-14,28H,11-12,15H2,1-2H3,(H,27,30)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization was determined at 1.2 mg/mL concentration


J Med Chem 46: 1670-82 (2003)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50009568
PNG
((Thiocolchicine)N-(1,2,3-Trimethoxy-10-methylsulfa...)
Show SMILES COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(SC)ccc3-c2c(OC)c1OC
Show InChI InChI=1S/C22H25NO5S/c1-12(24)23-16-8-6-13-10-18(26-2)21(27-3)22(28-4)20(13)14-7-9-19(29-5)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization was determined at 1.2 mg/mL concentration


J Med Chem 46: 1670-82 (2003)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50060957
PNG
(2-Hydroxyestradol 2-methyl ether | 2-methoxy-17bet...)
Show SMILES COc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O
Show InChI InChI=1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of polymerization of purified bovine tubulin


J Med Chem 43: 2419-29 (2000)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50127066
PNG
(5-[2-(2,5-Dimethoxy-phenyl)-ethyl]-N-[2-(4-fluoro-...)
Show SMILES COc1ccc(OC)c(CCc2ccc(O)c(c2)C(=O)NCCc2ccc(F)cc2)c1
Show InChI InChI=1S/C25H26FNO4/c1-30-21-10-12-24(31-2)19(16-21)7-3-18-6-11-23(28)22(15-18)25(29)27-14-13-17-4-8-20(26)9-5-17/h4-6,8-12,15-16,28H,3,7,13-14H2,1-2H3,(H,27,29)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization was determined at 1.2 mg/mL concentration


J Med Chem 46: 1670-82 (2003)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50094999
PNG
(CHEMBL3590018)
Show SMILES COc1ccc2n(C)cc(-c3nc4ccccc4n3C(=O)c3cc(OC)c(OC)c(OC)c3)c2c1
Show InChI InChI=1S/C27H25N3O5/c1-29-15-19(18-14-17(32-2)10-11-21(18)29)26-28-20-8-6-7-9-22(20)30(26)27(31)16-12-23(33-3)25(35-5)24(13-16)34-4/h6-15H,1-5H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization extent after 20 mins by turbidimetrically


Eur J Med Chem 99: 125-37 (2015)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50094991
PNG
(CHEMBL3590010)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)n1c(nc2ccccc12)-c1cn(C)c2ccccc12
Show InChI InChI=1S/C26H23N3O4/c1-28-15-18(17-9-5-7-11-20(17)28)25-27-19-10-6-8-12-21(19)29(25)26(30)16-13-22(31-2)24(33-4)23(14-16)32-3/h5-15H,1-4H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization extent after 20 mins by turbidimetrically


Eur J Med Chem 99: 125-37 (2015)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50094998
PNG
(CHEMBL3590017)
Show SMILES COc1ccc2n(C)cc(-c3nc4ccccc4n3C(=O)c3ccc(OC)c(OC)c3)c2c1
Show InChI InChI=1S/C26H23N3O4/c1-28-15-19(18-14-17(31-2)10-11-21(18)28)25-27-20-7-5-6-8-22(20)29(25)26(30)16-9-12-23(32-3)24(13-16)33-4/h5-15H,1-4H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization extent after 20 mins by turbidimetrically


Eur J Med Chem 99: 125-37 (2015)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50125183
PNG
(CHEMBL3621230)
Show SMILES CCn1ccc2c1ccc1n(C)c(cc(=O)c21)-c1ccccc1
Show InChI InChI=1S/C20H18N2O/c1-3-22-12-11-15-16(22)9-10-17-20(15)19(23)13-18(21(17)2)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization assessed as protein assembly after 20 mins by turbidimetric analysis


J Med Chem 58: 7991-8010 (2015)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
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 1.80E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization extent after 20 mins by turbidimetrically


Eur J Med Chem 99: 125-37 (2015)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50014846
PNG
((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Show SMILES COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC
Show InChI InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



School of Pharmacy, College of Pharmacy, Taipei Medical University, Taipei 11031, Taiwan.

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization after 30 mins


Bioorg Med Chem 23: 4230-6 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin alpha chain /beta chain


(Bos taurus)
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



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization was determined at 1.2 mg/mL concentration


J Med Chem 46: 1670-82 (2003)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50006677
PNG
(1,2,3-Trimethoxy-5-[(Z)-2-(4-methoxy-phenyl)-vinyl...)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1
Show InChI InChI=1S/C18H20O4/c1-19-15-9-7-13(8-10-15)5-6-14-11-16(20-2)18(22-4)17(12-14)21-3/h5-12H,1-4H3/b6-5-
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n/an/a 2.00E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine electrophoretically homogeneous tubulin polymerization.


J Med Chem 36: 2817-21 (1993)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50095007
PNG
(CHEMBL3590026)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)n1c(nc2ccccc12)-c1cn(C)c2ccc(Br)cc12
Show InChI InChI=1S/C26H22BrN3O4/c1-29-14-18(17-13-16(27)9-10-20(17)29)25-28-19-7-5-6-8-21(19)30(25)26(31)15-11-22(32-2)24(34-4)23(12-15)33-3/h5-14H,1-4H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization extent after 20 mins by turbidimetrically


Eur J Med Chem 99: 125-37 (2015)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50094990
PNG
(CHEMBL3590009)
Show SMILES COc1ccc(cc1OC)C(=O)n1c(nc2ccccc12)-c1cn(C)c2ccccc12
Show InChI InChI=1S/C25H21N3O3/c1-27-15-18(17-8-4-6-10-20(17)27)24-26-19-9-5-7-11-21(19)28(24)25(29)16-12-13-22(30-2)23(14-16)31-3/h4-15H,1-3H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization extent after 20 mins by turbidimetrically


Eur J Med Chem 99: 125-37 (2015)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50035218
PNG
(CHEMBL61 | PODOFILOX | Podophyllinic acid lactone ...)
Show SMILES COc1cc(cc(OC)c1OC)[C@H]1[C@@H]2[C@H](COC2=O)[C@@H](O)c2cc3OCOc3cc12
Show InChI InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization was determined at 1.2 mg/mL concentration


J Med Chem 46: 1670-82 (2003)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50095006
PNG
(CHEMBL3590025)
Show SMILES COc1ccc(cc1OC)C(=O)n1c(nc2ccccc12)-c1cn(C)c2ccc(Br)cc12
Show InChI InChI=1S/C25H20BrN3O3/c1-28-14-18(17-13-16(26)9-10-20(17)28)24-27-19-6-4-5-7-21(19)29(24)25(30)15-8-11-22(31-2)23(12-15)32-3/h4-14H,1-3H3
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n/an/a 2.40E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization extent after 20 mins by turbidimetrically


Eur J Med Chem 99: 125-37 (2015)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50125115
PNG
(CHEMBL3623602)
Show SMILES O=C(C1CC1)N1CCc2c1ccc1[nH]c(cc(=O)c21)-c1ccccc1
Show InChI InChI=1S/C21H18N2O2/c24-19-12-17(13-4-2-1-3-5-13)22-16-8-9-18-15(20(16)19)10-11-23(18)21(25)14-6-7-14/h1-5,8-9,12,14H,6-7,10-11H2,(H,22,24)
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization assessed as protein assembly after 20 mins by turbidimetric analysis


J Med Chem 58: 7991-8010 (2015)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50014846
PNG
((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Show SMILES COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC
Show InChI InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1
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n/an/a 2.62E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization extent after 20 mins by turbidimetrically


Eur J Med Chem 99: 125-37 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50125088
PNG
(CHEMBL3623598)
Show SMILES OCCn1ccc2c1ccc1[nH]c(cc(=O)c21)-c1ccccc1
Show InChI InChI=1S/C19H16N2O2/c22-11-10-21-9-8-14-17(21)7-6-15-19(14)18(23)12-16(20-15)13-4-2-1-3-5-13/h1-9,12,22H,10-11H2,(H,20,23)
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n/an/a 2.90E+3n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization assessed as protein assembly after 20 mins by turbidimetric analysis


J Med Chem 58: 7991-8010 (2015)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50127070
PNG
(5-[2-(2,5-Dihydroxy-phenyl)-vinyl]-N-[2-(4-fluoro-...)
Show SMILES Oc1ccc(O)c(\C=C\c2ccc(O)c(c2)C(=O)NCCc2ccc(F)cc2)c1
Show InChI InChI=1S/C23H20FNO4/c24-18-6-2-15(3-7-18)11-12-25-23(29)20-13-16(4-9-22(20)28)1-5-17-14-19(26)8-10-21(17)27/h1-10,13-14,26-28H,11-12H2,(H,25,29)/b5-1+
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n/an/a 2.90E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization was determined at 1.2 mg/mL concentration


J Med Chem 46: 1670-82 (2003)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50369281
PNG
(CHEMBL1627880)
Show SMILES CCOc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC(=O)c2cc1O
Show InChI InChI=1S/C20H26O4/c1-3-24-18-10-12-11-6-7-20(2)15(4-5-19(20)23)13(11)8-16(21)14(12)9-17(18)22/h9-11,13,15,19,22-23H,3-8H2,1-2H3/t11-,13-,15+,19+,20+/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of polymerization of purified bovine tubulin


J Med Chem 43: 2419-29 (2000)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50045723
PNG
((4-Ethyl-phenyl)-(3,4,5-trimethoxy-benzyl)-amine |...)
Show SMILES CCc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1
Show InChI InChI=1S/C18H23NO3/c1-5-13-6-8-15(9-7-13)19-12-14-10-16(20-2)18(22-4)17(11-14)21-3/h6-11,19H,5,12H2,1-4H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine electrophoretically homogeneous tubulin polymerization.


J Med Chem 36: 2817-21 (1993)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50094996
PNG
(CHEMBL3590015)
Show SMILES COc1cccc(c1)C(=O)n1c(nc2ccccc12)-c1cn(C)c2ccc(OC)cc12
Show InChI InChI=1S/C25H21N3O3/c1-27-15-20(19-14-18(31-3)11-12-22(19)27)24-26-21-9-4-5-10-23(21)28(24)25(29)16-7-6-8-17(13-16)30-2/h4-15H,1-3H3
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n/an/a 3.30E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization extent after 20 mins by turbidimetrically


Eur J Med Chem 99: 125-37 (2015)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50045728
PNG
(CHEMBL97301 | p-Tolyl-(3,4,5-trimethoxy-benzyl)-am...)
Show SMILES COc1cc(C[NH2+]c2ccc(C)cc2)cc(OC)c1OC
Show InChI InChI=1S/C17H21NO3/c1-12-5-7-14(8-6-12)18-11-13-9-15(19-2)17(21-4)16(10-13)20-3/h5-10,18H,11H2,1-4H3/p+1
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n/an/a 3.50E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine electrophoretically homogeneous tubulin polymerization.


J Med Chem 36: 2817-21 (1993)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50094997
PNG
(CHEMBL3590016)
Show SMILES COc1ccc(cc1)C(=O)n1c(nc2ccccc12)-c1cn(C)c2ccc(OC)cc12
Show InChI InChI=1S/C25H21N3O3/c1-27-15-20(19-14-18(31-3)12-13-22(19)27)24-26-21-6-4-5-7-23(21)28(24)25(29)16-8-10-17(30-2)11-9-16/h4-15H,1-3H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization extent after 20 mins by turbidimetrically


Eur J Med Chem 99: 125-37 (2015)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50127061
PNG
(5-(2,5-Dihydroxy-phenylethynyl)-2-hydroxy-N-phenet...)
Show SMILES Oc1ccc(O)c(c1)C#Cc1ccc(O)c(c1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C23H19NO4/c25-19-9-11-21(26)18(15-19)8-6-17-7-10-22(27)20(14-17)23(28)24-13-12-16-4-2-1-3-5-16/h1-5,7,9-11,14-15,25-27H,12-13H2,(H,24,28)
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n/an/a 3.70E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization was determined at 1.2 mg/mL concentration


J Med Chem 46: 1670-82 (2003)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50127068
PNG
(5-[2-(2,5-Dihydroxy-phenyl)-vinyl]-2-hydroxy-N-phe...)
Show SMILES Oc1ccc(O)c(\C=C\c2ccc(O)c(c2)C(=O)NCCc2ccccc2)c1
Show InChI InChI=1S/C23H21NO4/c25-19-9-11-21(26)18(15-19)8-6-17-7-10-22(27)20(14-17)23(28)24-13-12-16-4-2-1-3-5-16/h1-11,14-15,25-27H,12-13H2,(H,24,28)/b8-6+
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n/an/a 4.00E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization was determined at 1.2 mg/mL concentration


J Med Chem 46: 1670-82 (2003)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50098801
PNG
(CHEMBL3593873)
Show SMILES COc1ccc2c(c[nH]c2c1)C(=O)c1cc(OC)c(OC)c(OC)c1O
Show InChI InChI=1S/C19H19NO6/c1-23-10-5-6-11-13(9-20-14(11)7-10)16(21)12-8-15(24-2)18(25-3)19(26-4)17(12)22/h5-9,20,22H,1-4H3
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n/an/a 4.20E+3n/an/an/an/an/an/a



School of Pharmacy, College of Pharmacy, Taipei Medical University, Taipei 11031, Taiwan.

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization after 30 mins


Bioorg Med Chem 23: 4230-6 (2015)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50127077
PNG
(5-[2-(2,5-Dihydroxy-phenyl)-vinyl]-N-[2-(4-fluoro-...)
Show SMILES Oc1ccc(O)c(\C=C/c2ccc(O)c(c2)C(=O)NCCc2ccc(F)cc2)c1
Show InChI InChI=1S/C23H20FNO4/c24-18-6-2-15(3-7-18)11-12-25-23(29)20-13-16(4-9-22(20)28)1-5-17-14-19(26)8-10-21(17)27/h1-10,13-14,26-28H,11-12H2,(H,25,29)/b5-1-
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n/an/a 4.20E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization was determined at 1.2 mg/mL concentration


J Med Chem 46: 1670-82 (2003)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50127064
PNG
(5-[2-(2,5-Dihydroxy-phenyl)-vinyl]-N-hexyl-2-hydro...)
Show SMILES CCCCCCNC(=O)c1cc(\C=C/c2cc(O)ccc2O)ccc1O
Show InChI InChI=1S/C21H25NO4/c1-2-3-4-5-12-22-21(26)18-13-15(7-10-20(18)25)6-8-16-14-17(23)9-11-19(16)24/h6-11,13-14,23-25H,2-5,12H2,1H3,(H,22,26)/b8-6-
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n/an/a 4.20E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization was determined at 1.2 mg/mL concentration


J Med Chem 46: 1670-82 (2003)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50094982
PNG
(CHEMBL3590007)
Show SMILES COc1cccc(c1)C(=O)n1c(nc2ccccc12)-c1cn(C)c2ccccc12
Show InChI InChI=1S/C24H19N3O2/c1-26-15-19(18-10-3-5-12-21(18)26)23-25-20-11-4-6-13-22(20)27(23)24(28)16-8-7-9-17(14-16)29-2/h3-15H,1-2H3
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n/an/a 4.40E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization extent after 20 mins by turbidimetrically


Eur J Med Chem 99: 125-37 (2015)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50009562
PNG
((4-Methoxy-phenyl)-(3,4,5-trimethoxy-benzyl)-amine...)
Show SMILES COc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1
Show InChI InChI=1S/C17H21NO4/c1-19-14-7-5-13(6-8-14)18-11-12-9-15(20-2)17(22-4)16(10-12)21-3/h5-10,18H,11H2,1-4H3
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n/an/a 4.60E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine electrophoretically homogeneous tubulin polymerization.


J Med Chem 36: 2817-21 (1993)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50094984
PNG
(CHEMBL3590008)
Show SMILES COc1ccc(cc1)C(=O)n1c(nc2ccccc12)-c1cn(C)c2ccccc12
Show InChI InChI=1S/C24H19N3O2/c1-26-15-19(18-7-3-5-9-21(18)26)23-25-20-8-4-6-10-22(20)27(23)24(28)16-11-13-17(29-2)14-12-16/h3-15H,1-2H3
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n/an/a 4.60E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization extent after 20 mins by turbidimetrically


Eur J Med Chem 99: 125-37 (2015)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
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 4.90E+3n/an/an/an/an/an/a



School of Pharmacy, College of Pharmacy, Taipei Medical University, Taipei 11031, Taiwan.

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization after 30 mins


Bioorg Med Chem 23: 4230-6 (2015)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50098800
PNG
(CHEMBL3593872)
Show SMILES COc1cc(C(=O)c2ccc3n(C)ccc3c2)c(O)c(OC)c1OC
Show InChI InChI=1S/C19H19NO5/c1-20-8-7-11-9-12(5-6-14(11)20)16(21)13-10-15(23-2)18(24-3)19(25-4)17(13)22/h5-10,22H,1-4H3
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n/an/a 4.90E+3n/an/an/an/an/an/a



School of Pharmacy, College of Pharmacy, Taipei Medical University, Taipei 11031, Taiwan.

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization after 30 mins


Bioorg Med Chem 23: 4230-6 (2015)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50127063
PNG
(5-[2-(2,5-Dihydroxy-phenyl)-vinyl]-N-hexyl-2-hydro...)
Show SMILES CCCCCCNC(=O)c1cc(\C=C\c2cc(O)ccc2O)ccc1O
Show InChI InChI=1S/C21H25NO4/c1-2-3-4-5-12-22-21(26)18-13-15(7-10-20(18)25)6-8-16-14-17(23)9-11-19(16)24/h6-11,13-14,23-25H,2-5,12H2,1H3,(H,22,26)/b8-6+
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PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization was determined at 1.2 mg/mL concentration


J Med Chem 46: 1670-82 (2003)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50127078
PNG
(5-[2-(2,5-Dihydroxy-phenyl)-vinyl]-2-hydroxy-N-phe...)
Show SMILES Oc1ccc(O)c(\C=C/c2ccc(O)c(c2)C(=O)NCCc2ccccc2)c1
Show InChI InChI=1S/C23H21NO4/c25-19-9-11-21(26)18(15-19)8-6-17-7-10-22(27)20(14-17)23(28)24-13-12-16-4-2-1-3-5-16/h1-11,14-15,25-27H,12-13H2,(H,24,28)/b8-6-
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n/an/a 5.40E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization was determined at 1.2 mg/mL concentration


J Med Chem 46: 1670-82 (2003)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50127076
PNG
(5-[2-(2,5-Dihydroxy-phenyl)-ethyl]-2-hydroxy-N-phe...)
Show SMILES Oc1ccc(O)c(CCc2ccc(O)c(c2)C(=O)NCCc2ccccc2)c1
Show InChI InChI=1S/C23H23NO4/c25-19-9-11-21(26)18(15-19)8-6-17-7-10-22(27)20(14-17)23(28)24-13-12-16-4-2-1-3-5-16/h1-5,7,9-11,14-15,25-27H,6,8,12-13H2,(H,24,28)
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n/an/a 5.50E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization was determined at 1.2 mg/mL concentration


J Med Chem 46: 1670-82 (2003)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50089349
PNG
(Acetic acid 1-acetoxy-9-ethoxy-12a-methyl-6-oxo-1,...)
Show SMILES CCOc1cc2C3CC[C@]4(C)[C@H](CCC4C3CCC(=O)c2cc1OC(C)=O)OC(C)=O
Show InChI InChI=1S/C25H32O6/c1-5-29-22-12-18-16-10-11-25(4)20(7-9-24(25)31-15(3)27)17(16)6-8-21(28)19(18)13-23(22)30-14(2)26/h12-13,16-17,20,24H,5-11H2,1-4H3/t16?,17?,20?,24-,25-/m0/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of polymerization of purified bovine tubulin


J Med Chem 43: 2419-29 (2000)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50125181
PNG
(CHEMBL3623603)
Show SMILES CCn1ccc2c1ccc1nc(cc(OC)c21)-c1ccccc1
Show InChI InChI=1S/C20H18N2O/c1-3-22-12-11-15-18(22)10-9-16-20(15)19(23-2)13-17(21-16)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3
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n/an/a 5.70E+3n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization assessed as protein assembly after 20 mins by turbidimetric analysis


J Med Chem 58: 7991-8010 (2015)

More data for this
Ligand-Target Pair
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