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Compile Data Set for Download or QSAR

Found 131 hits Enz. Inhib. hit(s) with Target = 'Tubulin' AND taxid = 5689   
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


(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 900n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization


Citation and Details
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)
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)
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)
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)
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)
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)
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


Citation and Details
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)
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Tubulin


(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 1.70E+3n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization measured for 1 hr by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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


Citation and Details
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


Citation and Details
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 1.90E+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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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


Citation and Details
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)
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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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


Citation and Details
More data for this
Ligand-Target Pair
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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


Citation and Details
More data for this
Ligand-Target Pair
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)
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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)
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


Citation and Details
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


Citation and Details
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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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


Citation and Details
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


Citation and Details
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
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