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Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for entry = 50045321   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Similar to alpha-tubulin isoform 1


(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 preincubated for 20 mins by turbidimetry


Eur J Med Chem 85: 341-51 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.082
BindingDB Entry DOI: 10.7270/Q29C7036
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50056757
PNG
(CHEMBL3331011)
Show SMILES [O-][N+](=O)c1cnc(\C=C/c2ccc(Cl)cc2Cl)n1CCOC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C22H16Cl2N4O4/c23-15-7-5-14(18(24)11-15)6-8-20-26-13-21(28(30)31)27(20)9-10-32-22(29)17-12-25-19-4-2-1-3-16(17)19/h1-8,11-13,25H,9-10H2/b8-6-
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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 preincubated for 20 mins by turbidimetry


Eur J Med Chem 85: 341-51 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.082
BindingDB Entry DOI: 10.7270/Q29C7036
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50056748
PNG
(CHEMBL3331002)
Show SMILES [O-][N+](=O)c1cnc(\C=C/c2ccccc2[N+]([O-])=O)n1CCOC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C22H17N5O6/c28-22(17-13-23-18-7-3-2-6-16(17)18)33-12-11-25-20(24-14-21(25)27(31)32)10-9-15-5-1-4-8-19(15)26(29)30/h1-10,13-14,23H,11-12H2/b10-9-
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n/an/a 6.30E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin preincubated for 20 mins by turbidimetry


Eur J Med Chem 85: 341-51 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.082
BindingDB Entry DOI: 10.7270/Q29C7036
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50056750
PNG
(CHEMBL3331004)
Show SMILES [O-][N+](=O)c1cnc(\C=C/c2ccc(cc2)[N+]([O-])=O)n1CCOC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C22H17N5O6/c28-22(18-13-23-19-4-2-1-3-17(18)19)33-12-11-25-20(24-14-21(25)27(31)32)10-7-15-5-8-16(9-6-15)26(29)30/h1-10,13-14,23H,11-12H2/b10-7-
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n/an/a 6.90E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin preincubated for 20 mins by turbidimetry


Eur J Med Chem 85: 341-51 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.082
BindingDB Entry DOI: 10.7270/Q29C7036
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50056749
PNG
(CHEMBL3331003)
Show SMILES [O-][N+](=O)c1cnc(\C=C/c2cccc(c2)[N+]([O-])=O)n1CCOC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C22H17N5O6/c28-22(18-13-23-19-7-2-1-6-17(18)19)33-11-10-25-20(24-14-21(25)27(31)32)9-8-15-4-3-5-16(12-15)26(29)30/h1-9,12-14,23H,10-11H2/b9-8-
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n/an/a 1.95E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin preincubated for 20 mins by turbidimetry


Eur J Med Chem 85: 341-51 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.082
BindingDB Entry DOI: 10.7270/Q29C7036
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50056754
PNG
(CHEMBL3331008)
Show SMILES COc1ccccc1\C=C/c1ncc(n1CCOC(=O)c1c[nH]c2ccccc12)[N+]([O-])=O
Show InChI InChI=1S/C23H20N4O5/c1-31-20-9-5-2-6-16(20)10-11-21-25-15-22(27(29)30)26(21)12-13-32-23(28)18-14-24-19-8-4-3-7-17(18)19/h2-11,14-15,24H,12-13H2,1H3/b11-10-
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n/an/a 2.14E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin preincubated for 20 mins by turbidimetry


Eur J Med Chem 85: 341-51 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.082
BindingDB Entry DOI: 10.7270/Q29C7036
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50056753
PNG
(CHEMBL3331007)
Show SMILES Cc1ccc(\C=C/c2ncc(n2CCOC(=O)c2c[nH]c3ccccc23)[N+]([O-])=O)cc1
Show InChI InChI=1S/C23H20N4O4/c1-16-6-8-17(9-7-16)10-11-21-25-15-22(27(29)30)26(21)12-13-31-23(28)19-14-24-20-5-3-2-4-18(19)20/h2-11,14-15,24H,12-13H2,1H3/b11-10-
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n/an/a 4.52E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin preincubated for 20 mins by turbidimetry


Eur J Med Chem 85: 341-51 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.082
BindingDB Entry DOI: 10.7270/Q29C7036
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50056756
PNG
(CHEMBL3331010)
Show SMILES COc1ccc(\C=C/c2ncc(n2CCOC(=O)c2c[nH]c3ccccc23)[N+]([O-])=O)cc1
Show InChI InChI=1S/C23H20N4O5/c1-31-17-9-6-16(7-10-17)8-11-21-25-15-22(27(29)30)26(21)12-13-32-23(28)19-14-24-20-5-3-2-4-18(19)20/h2-11,14-15,24H,12-13H2,1H3/b11-8-
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n/an/a 5.03E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin preincubated for 20 mins by turbidimetry


Eur J Med Chem 85: 341-51 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.082
BindingDB Entry DOI: 10.7270/Q29C7036
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50056751
PNG
(CHEMBL3331005)
Show SMILES Cc1ccccc1\C=C/c1ncc(n1CCOC(=O)c1c[nH]c2ccccc12)[N+]([O-])=O
Show InChI InChI=1S/C23H20N4O4/c1-16-6-2-3-7-17(16)10-11-21-25-15-22(27(29)30)26(21)12-13-31-23(28)19-14-24-20-9-5-4-8-18(19)20/h2-11,14-15,24H,12-13H2,1H3/b11-10-
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n/an/a 6.72E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin preincubated for 20 mins by turbidimetry


Eur J Med Chem 85: 341-51 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.082
BindingDB Entry DOI: 10.7270/Q29C7036
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50056755
PNG
(CHEMBL3331009)
Show SMILES COc1cccc(\C=C/c2ncc(n2CCOC(=O)c2c[nH]c3ccccc23)[N+]([O-])=O)c1
Show InChI InChI=1S/C23H20N4O5/c1-31-17-6-4-5-16(13-17)9-10-21-25-15-22(27(29)30)26(21)11-12-32-23(28)19-14-24-20-8-3-2-7-18(19)20/h2-10,13-15,24H,11-12H2,1H3/b10-9-
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n/an/a 6.77E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin preincubated for 20 mins by turbidimetry


Eur J Med Chem 85: 341-51 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.082
BindingDB Entry DOI: 10.7270/Q29C7036
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50056742
PNG
(CHEMBL3330997)
Show SMILES [O-][N+](=O)c1cnc(\C=C\c2ccccc2Cl)n1CCOC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C22H17ClN4O4/c23-18-7-3-1-5-15(18)9-10-20-25-14-21(27(29)30)26(20)11-12-31-22(28)17-13-24-19-8-4-2-6-16(17)19/h1-10,13-14,24H,11-12H2/b10-9+
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n/an/a 7.12E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin preincubated for 20 mins by turbidimetry


Eur J Med Chem 85: 341-51 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.082
BindingDB Entry DOI: 10.7270/Q29C7036
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50056752
PNG
(CHEMBL3331006)
Show SMILES Cc1cccc(\C=C/c2ncc(n2CCOC(=O)c2c[nH]c3ccccc23)[N+]([O-])=O)c1
Show InChI InChI=1S/C23H20N4O4/c1-16-5-4-6-17(13-16)9-10-21-25-15-22(27(29)30)26(21)11-12-31-23(28)19-14-24-20-8-3-2-7-18(19)20/h2-10,13-15,24H,11-12H2,1H3/b10-9-
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n/an/a 7.53E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin preincubated for 20 mins by turbidimetry


Eur J Med Chem 85: 341-51 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.082
BindingDB Entry DOI: 10.7270/Q29C7036
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50056744
PNG
(CHEMBL3329220)
Show SMILES [O-][N+](=O)c1cnc(\C=C\c2ccc(Cl)cc2)n1CCOC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C22H17ClN4O4/c23-16-8-5-15(6-9-16)7-10-20-25-14-21(27(29)30)26(20)11-12-31-22(28)18-13-24-19-4-2-1-3-17(18)19/h1-10,13-14,24H,11-12H2/b10-7+
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n/an/a 9.88E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin preincubated for 20 mins by turbidimetry


Eur J Med Chem 85: 341-51 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.082
BindingDB Entry DOI: 10.7270/Q29C7036
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50056743
PNG
(CHEMBL3330998)
Show SMILES [O-][N+](=O)c1cnc(\C=C\c2cccc(Cl)c2)n1CCOC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C22H17ClN4O4/c23-16-5-3-4-15(12-16)8-9-20-25-14-21(27(29)30)26(20)10-11-31-22(28)18-13-24-19-7-2-1-6-17(18)19/h1-9,12-14,24H,10-11H2/b9-8+
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n/an/a 1.03E+5n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin preincubated for 20 mins by turbidimetry


Eur J Med Chem 85: 341-51 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.082
BindingDB Entry DOI: 10.7270/Q29C7036
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50056745
PNG
(CHEMBL3330999)
Show SMILES [O-][N+](=O)c1cnc(\C=C/c2ccccc2Br)n1CCOC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C22H17BrN4O4/c23-18-7-3-1-5-15(18)9-10-20-25-14-21(27(29)30)26(20)11-12-31-22(28)17-13-24-19-8-4-2-6-16(17)19/h1-10,13-14,24H,11-12H2/b10-9-
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n/an/a 1.12E+5n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin preincubated for 20 mins by turbidimetry


Eur J Med Chem 85: 341-51 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.082
BindingDB Entry DOI: 10.7270/Q29C7036
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50056747
PNG
(CHEMBL3331001)
Show SMILES [O-][N+](=O)c1cnc(\C=C/c2ccc(Br)cc2)n1CCOC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C22H17BrN4O4/c23-16-8-5-15(6-9-16)7-10-20-25-14-21(27(29)30)26(20)11-12-31-22(28)18-13-24-19-4-2-1-3-17(18)19/h1-10,13-14,24H,11-12H2/b10-7-
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n/an/a 1.23E+5n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin preincubated for 20 mins by turbidimetry


Eur J Med Chem 85: 341-51 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.082
BindingDB Entry DOI: 10.7270/Q29C7036
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50056746
PNG
(CHEMBL3331000)
Show SMILES [O-][N+](=O)c1cnc(\C=C/c2cccc(Br)c2)n1CCOC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C22H17BrN4O4/c23-16-5-3-4-15(12-16)8-9-20-25-14-21(27(29)30)26(20)10-11-31-22(28)18-13-24-19-7-2-1-6-17(18)19/h1-9,12-14,24H,10-11H2/b9-8-
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n/an/a 1.62E+5n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin preincubated for 20 mins by turbidimetry


Eur J Med Chem 85: 341-51 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.082
BindingDB Entry DOI: 10.7270/Q29C7036
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50056758
PNG
(CHEMBL3331344)
Show SMILES [O-][N+](=O)c1cnc(\C=C/c2cccc3ccccc23)n1CCOC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C26H20N4O4/c31-26(22-16-27-23-11-4-3-10-21(22)23)34-15-14-29-24(28-17-25(29)30(32)33)13-12-19-8-5-7-18-6-1-2-9-20(18)19/h1-13,16-17,27H,14-15H2/b13-12-
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n/an/a 1.87E+5n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin preincubated for 20 mins by turbidimetry


Eur J Med Chem 85: 341-51 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.082
BindingDB Entry DOI: 10.7270/Q29C7036
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50056759
PNG
(CHEMBL3331345)
Show SMILES [O-][N+](=O)c1cnc(\C=C/c2ccccc2)n1CCOC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C22H18N4O4/c27-22(18-14-23-19-9-5-4-8-17(18)19)30-13-12-25-20(24-15-21(25)26(28)29)11-10-16-6-2-1-3-7-16/h1-11,14-15,23H,12-13H2/b11-10-
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n/an/a 2.04E+5n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin preincubated for 20 mins by turbidimetry


Eur J Med Chem 85: 341-51 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.082
BindingDB Entry DOI: 10.7270/Q29C7036
More data for this
Ligand-Target Pair