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Compile Data Set for Download or QSAR

Found 231 hits Enz. Inhib. hit(s) with Target = 'Tubulin' AND taxid = 9606   
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--tyrosine ligase


(Homo sapiens)
BDBM18129
PNG
((2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid | L...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
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2.50E+4 -27.3n/an/an/an/an/a6.837



Binghamton University



Assay Description
Inhibition of [3H]-L-tyrosine incorporation into tubulin by enzyme tubulin tyrosine ligase (TTL).


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


(Homo sapiens)
BDBM36555
PNG
(3-Aminotyrosine)
Show SMILES NC(Cc1ccc(O)c(N)c1)C(O)=O
Show InChI InChI=1S/C9H12N2O3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,10-11H2,(H,13,14)
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2.00E+5 -22.0n/an/an/an/an/a6.837



Binghamton University



Assay Description
Inhibition of [3H]-L-tyrosine incorporation into tubulin by enzyme tubulin tyrosine ligase (TTL).


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


(Homo sapiens)
BDBM36556
PNG
(3-Azidotyrosine)
Show SMILES NC(Cc1ccc(O)c(c1)N=[N]#N)C(O)=O
Show InChI InChI=1S/C9H10N4O3/c10-6(9(15)16)3-5-1-2-8(14)7(4-5)12-13-11/h1-2,4,6,14H,3,10H2,(H,15,16)
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2.00E+5 -22.0n/an/an/an/an/a6.837



Binghamton University



Assay Description
Inhibition of [3H]-L-tyrosine incorporation into tubulin by enzyme tubulin tyrosine ligase (TTL).


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


(Homo sapiens)
BDBM36557
PNG
(3-Formyltyrosine)
Show SMILES NC(Cc1ccc(O)c(C=O)c1)C(O)=O
Show InChI InChI=1S/C10H11NO4/c11-8(10(14)15)4-6-1-2-9(13)7(3-6)5-12/h1-3,5,8,13H,4,11H2,(H,14,15)
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3.00E+5 -20.9n/an/an/an/an/a6.837



Binghamton University



Assay Description
Inhibition of [3H]-L-tyrosine incorporation into tubulin by enzyme tubulin tyrosine ligase (TTL).


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


(Homo sapiens)
BDBM36554
PNG
(3-Nitrotyrosine)
Show SMILES NC(Cc1ccc(O)c(c1)N(=O)=O)C(O)=O
Show InChI InChI=1S/C9H10N2O5/c10-6(9(13)14)3-5-1-2-8(12)7(4-5)11(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)
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4.00E+5 -20.2n/an/an/an/an/a6.837



Binghamton University



Assay Description
Inhibition of [3H]-L-tyrosine incorporation into tubulin by enzyme tubulin tyrosine ligase (TTL).


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


(Homo sapiens)
BDBM36558
PNG
(4-Aminophenylalanine)
Show SMILES NC(Cc1ccc(N)cc1)C(O)=O
Show InChI InChI=1S/C9H12N2O2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,10-11H2,(H,12,13)
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>4.00E+6>-14.2n/an/an/an/an/a6.837



Binghamton University



Assay Description
Inhibition of [3H]-L-tyrosine incorporation into tubulin by enzyme tubulin tyrosine ligase (TTL).


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


(Homo sapiens (Human))
BDBM59225
PNG
(Boronic acid, cis-6 | Boronic acid, trans-6)
Show SMILES COc1cc(C=Cc2ccc(OC)c(c2)B(O)O)cc(OC)c1OC
Show InChI InChI=1S/C18H21BO6/c1-22-15-8-7-12(9-14(15)19(20)21)5-6-13-10-16(23-2)18(25-4)17(11-13)24-3/h5-11,20-21H,1-4H3
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n/an/a 17n/an/an/an/an/an/a



University of Virginia



Assay Description
IC50 values for inhibition of cell growth using MCF-7 cell line were obtained by measuring the amount of total cell protein with the sulforhodamine B...


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


(Homo sapiens (Human))
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 32n/an/an/an/an/an/a



University of Virginia



Assay Description
IC50 values for inhibition of cell growth using MCF-7 cell line were obtained by measuring the amount of total cell protein with the sulforhodamine B...


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50159307
PNG
(2-Methoxy-5-[(Z)-2-(3,4,5-trimethyl-phenyl)-vinyl]...)
Show SMILES COc1ccc(\C=C/c2cc(C)c(C)c(C)c2)cc1O
Show InChI InChI=1S/C18H20O2/c1-12-9-16(10-13(2)14(12)3)6-5-15-7-8-18(20-4)17(19)11-15/h5-11,19H,1-4H3/b6-5-
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n/an/a 120n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50159294
PNG
(2-Methoxy-5-[(Z)-2-(3,4,5-trimethoxy-phenyl)-prope...)
Show SMILES COc1ccc(\C=C(\C)c2cc(OC)c(OC)c(OC)c2)cc1O
Show InChI InChI=1S/C19H22O5/c1-12(8-13-6-7-16(21-2)15(20)9-13)14-10-17(22-3)19(24-5)18(11-14)23-4/h6-11,20H,1-5H3/b12-8-
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n/an/a 130n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50159292
PNG
(2-Methoxy-5-[(Z)-2-(3,4,5-trimethoxy-phenyl)-but-1...)
Show SMILES CC\C(=C\c1ccc(OC)c(O)c1)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C20H24O5/c1-6-14(9-13-7-8-17(22-2)16(21)10-13)15-11-18(23-3)20(25-5)19(12-15)24-4/h7-12,21H,6H2,1-5H3/b14-9-
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n/an/a 130n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
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 180n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
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 200n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50159295
PNG
((E)-3-(3''-Hydroxy-4''-methoxyphenyl)-1-(20,30,40-...)
Show SMILES COc1ccc(\C=C\C(=O)c2ccc(OC)c(OC)c2OC)cc1O
Show InChI InChI=1S/C19H20O6/c1-22-16-9-6-12(11-15(16)21)5-8-14(20)13-7-10-17(23-2)19(25-4)18(13)24-3/h5-11,21H,1-4H3/b8-5+
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n/an/a 450n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
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 460n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50159301
PNG
((Z)-3-(3''-Fluoro-4''-methoxyphenyl)-2-methoxy-1-(...)
Show SMILES CO\C(=C/c1ccc(OC)c(F)c1)C(=O)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C20H21FO6/c1-23-15-7-6-12(8-14(15)21)9-16(24-2)19(22)13-10-17(25-3)20(27-5)18(11-13)26-4/h6-11H,1-5H3/b16-9-
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n/an/a 470n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


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


(Homo sapiens (Human))
BDBM59225
PNG
(Boronic acid, cis-6 | Boronic acid, trans-6)
Show SMILES COc1cc(C=Cc2ccc(OC)c(c2)B(O)O)cc(OC)c1OC
Show InChI InChI=1S/C18H21BO6/c1-22-15-8-7-12(9-14(15)19(20)21)5-6-13-10-16(23-2)18(25-4)17(11-13)24-3/h5-11,20-21H,1-4H3
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n/an/a 470n/an/an/an/an/an/a



University of Virginia



Assay Description
IC50 values for inhibition of cell growth using MCF-7 cell line were obtained by measuring the amount of total cell protein with the sulforhodamine B...


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50159305
PNG
(2-Methoxy-5-[(Z)-2-(3,4,5-triethoxy-phenyl)-vinyl]...)
Show SMILES CCOc1cc(\C=C/c2ccc(OC)c(O)c2)cc(OCC)c1OCC
Show InChI InChI=1S/C21H26O5/c1-5-24-19-13-16(14-20(25-6-2)21(19)26-7-3)9-8-15-10-11-18(23-4)17(22)12-15/h8-14,22H,5-7H2,1-4H3/b9-8-
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n/an/a 500n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50159313
PNG
((Z)-3-(3''-Hydroxy-4''-methoxyphenyl)-2-methoxy-1-...)
Show SMILES CO\C(=C/c1ccc(OC)c(O)c1)C(=O)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C20H22O7/c1-23-15-7-6-12(8-14(15)21)9-16(24-2)19(22)13-10-17(25-3)20(27-5)18(11-13)26-4/h6-11,21H,1-5H3/b16-9-
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n/an/a 510n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
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 560n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50070104
PNG
((2E)-3-(3-Hydroxy-4-methoxyphenyl)-1-(3,4,5-trimet...)
Show SMILES COc1ccc(\C=C\C(=O)c2cc(OC)c(OC)c(OC)c2)cc1O
Show InChI InChI=1S/C19H20O6/c1-22-16-8-6-12(9-15(16)21)5-7-14(20)13-10-17(23-2)19(25-4)18(11-13)24-3/h5-11,21H,1-4H3/b7-5+
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n/an/a 620n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50159300
PNG
((E)-3-(3''-Fluoro-4''-methoxyphenyl)-2-methyl-1-(3...)
Show SMILES COc1ccc(\C=C(/C)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1F
Show InChI InChI=1S/C20H21FO5/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/h6-11H,1-5H3/b12-8+
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n/an/a 650n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50159290
PNG
(5-[(Z)-2-(4-Methoxy-phenyl)-vinyl]-1,2,3-trimethyl...)
Show SMILES COc1ccc(\C=C/c2cc(C)c(C)c(C)c2)cc1
Show InChI InChI=1S/C18H20O/c1-13-11-17(12-14(2)15(13)3)6-5-16-7-9-18(19-4)10-8-16/h5-12H,1-4H3/b6-5-
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n/an/a 650n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
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 beta-1 chain


(Homo sapiens)
BDBM50159311
PNG
(5-[(Z)-2-(3-Fluoro-4-methoxy-phenyl)-vinyl]-1,2,3-...)
Show SMILES COc1ccc(\C=C/c2cc(C)c(C)c(C)c2)cc1F
Show InChI InChI=1S/C18H19FO/c1-12-9-16(10-13(2)14(12)3)6-5-15-7-8-18(20-4)17(19)11-15/h5-11H,1-4H3/b6-5-
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n/an/a 700n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


Citation and Details
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 beta-1 chain


(Homo sapiens)
BDBM50151097
PNG
((6-Methoxy-2-methyl-1H-indol-3-yl)-(3,4,5-trimetho...)
Show SMILES COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(C)[nH]c2c1
Show InChI InChI=1S/C20H21NO5/c1-11-18(14-7-6-13(23-2)10-15(14)21-11)19(22)12-8-16(24-3)20(26-5)17(9-12)25-4/h6-10,21H,1-5H3
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n/an/a 900n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


Citation and Details
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)
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 beta-1 chain


(Homo sapiens)
BDBM50168445
PNG
(5-[(Z)-2-(3-Bromo-4-methoxy-phenyl)-vinyl]-1,2,3-t...)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1Br
Show InChI InChI=1S/C18H19BrO4/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/h5-11H,1-4H3/b6-5-
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n/an/a 1.10E+3n/an/an/an/an/an/a



Arizona State University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization upon incubation for 20 min at 30 degree C


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50159297
PNG
((E)-3-(3''-Fluoro-4''-methoxyphenyl)-1-(3',4',5'-t...)
Show SMILES COc1ccc(\C=C\C(=O)c2cc(OC)c(OC)c(OC)c2)cc1F
Show InChI InChI=1S/C19H19FO5/c1-22-16-8-6-12(9-14(16)20)5-7-15(21)13-10-17(23-2)19(25-4)18(11-13)24-3/h5-11H,1-4H3/b7-5+
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
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



Arizona State University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization upon incubation for 20 min at 30 degree C


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50159306
PNG
(1,2,3-Triethoxy-5-[(Z)-2-(3-fluoro-4-methoxy-pheny...)
Show SMILES CCOc1cc(\C=C/c2ccc(OC)c(F)c2)cc(OCC)c1OCC
Show InChI InChI=1S/C21H25FO4/c1-5-24-19-13-16(14-20(25-6-2)21(19)26-7-3)9-8-15-10-11-18(23-4)17(22)12-15/h8-14H,5-7H2,1-4H3/b9-8-
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


Citation and Details
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 beta-1 chain


(Homo sapiens)
BDBM50159298
PNG
(5-[(Z)-2-(3-Fluoro-4-methoxy-phenyl)-vinyl]-2,3-di...)
Show SMILES COc1ccc(\C=C/c2cc(O)c(OC)c(OC)c2)cc1F
Show InChI InChI=1S/C17H17FO4/c1-20-15-7-6-11(8-13(15)18)4-5-12-9-14(19)17(22-3)16(10-12)21-2/h4-10,19H,1-3H3/b5-4-
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n/an/a 1.25E+3n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50159309
PNG
(1,2,3-Trimethoxy-5-[(Z)-2-(4-methoxy-phenyl)-1-met...)
Show SMILES COc1ccc(\C=C(\C)c2cc(OC)c(OC)c(OC)c2)cc1
Show InChI InChI=1S/C19H22O4/c1-13(10-14-6-8-16(20-2)9-7-14)15-11-17(21-3)19(23-5)18(12-15)22-4/h6-12H,1-5H3/b13-10-
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


Citation and Details
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


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)
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


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50064482
PNG
(2-demethylthiocolchicine | CHEMBL277239 | N-((S)-2...)
Show SMILES COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(SC)ccc3-c2c(OC)c1O
Show InChI InChI=1S/C21H23NO5S/c1-11(23)22-15-7-5-12-9-17(26-2)20(25)21(27-3)19(12)13-6-8-18(28-4)16(24)10-14(13)15/h6,8-10,15,25H,5,7H2,1-4H3,(H,22,23)/t15-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibitory concentration against tubulin assembly


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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PubMed
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


(Homo sapiens (Human))
BDBM59225
PNG
(Boronic acid, cis-6 | Boronic acid, trans-6)
Show SMILES COc1cc(C=Cc2ccc(OC)c(c2)B(O)O)cc(OC)c1OC
Show InChI InChI=1S/C18H21BO6/c1-22-15-8-7-12(9-14(15)19(20)21)5-6-13-10-16(23-2)18(25-4)17(11-13)24-3/h5-11,20-21H,1-4H3
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PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



University of Virginia



Assay Description
Tubulin polymerization was followed turbidimetrically at 350nm in Beckman model DU-7400 and DU-7500 spectrophotometers equipped with electric tempera...


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
PDB

KEGG

UniProtKB/SwissProt

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GoogleScholar
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UniChem

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Article
PubMed
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
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