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Compile Data Set for Download or QSAR

Found 36 hits with Last Name = 'bulman' and Initial = 'al'   
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
Tubulin beta-2B chain


(Bos taurus)
BDBM50060956
PNG
((1S,3aS,3bR,10bS,12aS)-8-Chloro-1-hydroxy-12a-meth...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(=O)c(Cl)ccc34)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C19H23ClO2/c1-19-9-8-13-12-4-6-16(20)17(21)10-11(12)2-3-14(13)15(19)5-7-18(19)22/h4,6,10,13-15,18,22H,2-3,5,7-9H2,1H3/t13-,14-,15+,18+,19+/m1/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 40: 3836-41 (1997)


Article DOI: 10.1021/jm970323e
BindingDB Entry DOI: 10.7270/Q2W09522
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50060952
PNG
((1S,3aS,3bR,10bS,12aS)-8-Bromo-1-hydroxy-12a-methy...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(=O)c(Br)ccc34)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C19H23BrO2/c1-19-9-8-13-12-4-6-16(20)17(21)10-11(12)2-3-14(13)15(19)5-7-18(19)22/h4,6,10,13-15,18,22H,2-3,5,7-9H2,1H3/t13-,14-,15+,18+,19+/m1/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 40: 3836-41 (1997)


Article DOI: 10.1021/jm970323e
BindingDB Entry DOI: 10.7270/Q2W09522
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50060953
PNG
((1S,3aS,3bR,10bS,12aS)-1-Hydroxy-12a-methyl-2,3,3a...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4ccc(=O)ccc34)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C19H24O2/c1-19-11-10-15-14-7-5-13(20)4-2-12(14)3-6-16(15)17(19)8-9-18(19)21/h2,4-5,7,15-18,21H,3,6,8-11H2,1H3/t15-,16-,17+,18+,19+/m1/s1
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n/an/a 4.40E+3n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 40: 3836-41 (1997)


Article DOI: 10.1021/jm970323e
BindingDB Entry DOI: 10.7270/Q2W09522
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50060955
PNG
((1S,3aS,3bR,10bS,12aS)-1-Hydroxy-12a-methyl-2,3,3a...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(=O)cccc34)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C19H24O2/c1-19-10-9-15-14-4-2-3-13(20)11-12(14)5-6-16(15)17(19)7-8-18(19)21/h2-4,11,15-18,21H,5-10H2,1H3/t15-,16-,17+,18+,19+/m1/s1
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n/an/a 7.20E+3n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 40: 3836-41 (1997)


Article DOI: 10.1021/jm970323e
BindingDB Entry DOI: 10.7270/Q2W09522
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(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 |r|
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 8.70E+3n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 45 degree C


Bioorg Med Chem Lett 9: 407-12 (1999)


BindingDB Entry DOI: 10.7270/Q2BG2R5N
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(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 |r|
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 8.70E+3n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 37 degree C


Bioorg Med Chem Lett 9: 407-12 (1999)


BindingDB Entry DOI: 10.7270/Q2BG2R5N
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50060950
PNG
((1S,3aS,3bR,10bS,12aS)-7-Chloro-1-hydroxy-12a-meth...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(Cl)c(=O)ccc34)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C19H23ClO2/c1-19-9-8-13-12-4-6-17(21)16(20)10-11(12)2-3-14(13)15(19)5-7-18(19)22/h4,6,10,13-15,18,22H,2-3,5,7-9H2,1H3/t13-,14-,15+,18+,19+/m1/s1
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n/an/a 9.80E+3n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 40: 3836-41 (1997)


Article DOI: 10.1021/jm970323e
BindingDB Entry DOI: 10.7270/Q2W09522
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50217336
PNG
(CHEMBL131684)
Show SMILES COc1ccc(cc1O)C1CCc2cc(OC)c(OC)c(OC)c12
Show InChI InChI=1S/C19H22O5/c1-21-15-8-6-11(9-14(15)20)13-7-5-12-10-16(22-2)18(23-3)19(24-4)17(12)13/h6,8-10,13,20H,5,7H2,1-4H3
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n/an/a 1.09E+4n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 45 degree C


Bioorg Med Chem Lett 9: 407-12 (1999)


BindingDB Entry DOI: 10.7270/Q2BG2R5N
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50217336
PNG
(CHEMBL131684)
Show SMILES COc1ccc(cc1O)C1CCc2cc(OC)c(OC)c(OC)c12
Show InChI InChI=1S/C19H22O5/c1-21-15-8-6-11(9-14(15)20)13-7-5-12-10-16(22-2)18(23-3)19(24-4)17(12)13/h6,8-10,13,20H,5,7H2,1-4H3
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n/an/a 1.09E+4n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 37 degree C


Bioorg Med Chem Lett 9: 407-12 (1999)


BindingDB Entry DOI: 10.7270/Q2BG2R5N
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(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 |r|
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 1.12E+4n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 30 degree C


Bioorg Med Chem Lett 9: 407-12 (1999)


BindingDB Entry DOI: 10.7270/Q2BG2R5N
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50217336
PNG
(CHEMBL131684)
Show SMILES COc1ccc(cc1O)C1CCc2cc(OC)c(OC)c(OC)c12
Show InChI InChI=1S/C19H22O5/c1-21-15-8-6-11(9-14(15)20)13-7-5-12-10-16(22-2)18(23-3)19(24-4)17(12)13/h6,8-10,13,20H,5,7H2,1-4H3
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n/an/a 1.18E+4n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 30 degree C


Bioorg Med Chem Lett 9: 407-12 (1999)


BindingDB Entry DOI: 10.7270/Q2BG2R5N
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50217334
PNG
(CHEMBL130088)
Show SMILES CCOc1cccc(cc1=O)C1CCc2cc(OC)c(OC)c(OC)c12
Show InChI InChI=1S/C21H24O5/c1-5-26-17-8-6-7-13(11-16(17)22)15-10-9-14-12-18(23-2)20(24-3)21(25-4)19(14)15/h6-8,11-12,15H,5,9-10H2,1-4H3
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n/an/a 1.80E+4n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 45 degree C


Bioorg Med Chem Lett 9: 407-12 (1999)


BindingDB Entry DOI: 10.7270/Q2BG2R5N
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50217334
PNG
(CHEMBL130088)
Show SMILES CCOc1cccc(cc1=O)C1CCc2cc(OC)c(OC)c(OC)c12
Show InChI InChI=1S/C21H24O5/c1-5-26-17-8-6-7-13(11-16(17)22)15-10-9-14-12-18(23-2)20(24-3)21(25-4)19(14)15/h6-8,11-12,15H,5,9-10H2,1-4H3
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n/an/a 1.82E+4n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 37 degree C


Bioorg Med Chem Lett 9: 407-12 (1999)


BindingDB Entry DOI: 10.7270/Q2BG2R5N
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50217333
PNG
(CHEMBL336290)
Show SMILES COc1cc2CCC(c2c(OC)c1OC)c1cccc(OC)c(=O)c1
Show InChI InChI=1S/C20H22O5/c1-22-16-7-5-6-12(10-15(16)21)14-9-8-13-11-17(23-2)19(24-3)20(25-4)18(13)14/h5-7,10-11,14H,8-9H2,1-4H3
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n/an/a 1.90E+4n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 37 degree C


Bioorg Med Chem Lett 9: 407-12 (1999)


BindingDB Entry DOI: 10.7270/Q2BG2R5N
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50217333
PNG
(CHEMBL336290)
Show SMILES COc1cc2CCC(c2c(OC)c1OC)c1cccc(OC)c(=O)c1
Show InChI InChI=1S/C20H22O5/c1-22-16-7-5-6-12(10-15(16)21)14-9-8-13-11-17(23-2)19(24-3)20(25-4)18(13)14/h5-7,10-11,14H,8-9H2,1-4H3
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n/an/a 1.90E+4n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 45 degree C


Bioorg Med Chem Lett 9: 407-12 (1999)


BindingDB Entry DOI: 10.7270/Q2BG2R5N
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50217337
PNG
(CHEMBL130312)
Show SMILES COc1cc2CCC(c2c(OC)c1OC)c1cccc(Br)c(=O)c1
Show InChI InChI=1S/C19H19BrO4/c1-22-16-10-12-7-8-13(17(12)19(24-3)18(16)23-2)11-5-4-6-14(20)15(21)9-11/h4-6,9-10,13H,7-8H2,1-3H3
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n/an/a 2.20E+4n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 45 degree C


Bioorg Med Chem Lett 9: 407-12 (1999)


BindingDB Entry DOI: 10.7270/Q2BG2R5N
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50217338
PNG
(CHEMBL132688)
Show SMILES CNc1cccc(cc1=O)C1CCc2cc(OC)c(OC)c(OC)c12
Show InChI InChI=1S/C20H23NO4/c1-21-15-7-5-6-12(10-16(15)22)14-9-8-13-11-17(23-2)19(24-3)20(25-4)18(13)14/h5-7,10-11,14H,8-9H2,1-4H3,(H,21,22)
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n/an/a 2.35E+4n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 37 degree C


Bioorg Med Chem Lett 9: 407-12 (1999)


BindingDB Entry DOI: 10.7270/Q2BG2R5N
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50217335
PNG
(CHEMBL423697)
Show SMILES COc1cc2CCC(c2c(OC)c1OC)c1cccc(N)c(=O)c1
Show InChI InChI=1S/C19H21NO4/c1-22-16-10-12-7-8-13(17(12)19(24-3)18(16)23-2)11-5-4-6-14(20)15(21)9-11/h4-6,9-10,13H,7-8H2,1-3H3,(H2,20,21)
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n/an/a 2.36E+4n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 45 degree C


Bioorg Med Chem Lett 9: 407-12 (1999)


BindingDB Entry DOI: 10.7270/Q2BG2R5N
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50217335
PNG
(CHEMBL423697)
Show SMILES COc1cc2CCC(c2c(OC)c1OC)c1cccc(N)c(=O)c1
Show InChI InChI=1S/C19H21NO4/c1-22-16-10-12-7-8-13(17(12)19(24-3)18(16)23-2)11-5-4-6-14(20)15(21)9-11/h4-6,9-10,13H,7-8H2,1-3H3,(H2,20,21)
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n/an/a 2.36E+4n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 37 degree C


Bioorg Med Chem Lett 9: 407-12 (1999)


BindingDB Entry DOI: 10.7270/Q2BG2R5N
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50217334
PNG
(CHEMBL130088)
Show SMILES CCOc1cccc(cc1=O)C1CCc2cc(OC)c(OC)c(OC)c12
Show InChI InChI=1S/C21H24O5/c1-5-26-17-8-6-7-13(11-16(17)22)15-10-9-14-12-18(23-2)20(24-3)21(25-4)19(14)15/h6-8,11-12,15H,5,9-10H2,1-4H3
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n/an/a 2.62E+4n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 30 degree C


Bioorg Med Chem Lett 9: 407-12 (1999)


BindingDB Entry DOI: 10.7270/Q2BG2R5N
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50217337
PNG
(CHEMBL130312)
Show SMILES COc1cc2CCC(c2c(OC)c1OC)c1cccc(Br)c(=O)c1
Show InChI InChI=1S/C19H19BrO4/c1-22-16-10-12-7-8-13(17(12)19(24-3)18(16)23-2)11-5-4-6-14(20)15(21)9-11/h4-6,9-10,13H,7-8H2,1-3H3
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n/an/a 2.81E+4n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 37 degree C


Bioorg Med Chem Lett 9: 407-12 (1999)


BindingDB Entry DOI: 10.7270/Q2BG2R5N
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50217335
PNG
(CHEMBL423697)
Show SMILES COc1cc2CCC(c2c(OC)c1OC)c1cccc(N)c(=O)c1
Show InChI InChI=1S/C19H21NO4/c1-22-16-10-12-7-8-13(17(12)19(24-3)18(16)23-2)11-5-4-6-14(20)15(21)9-11/h4-6,9-10,13H,7-8H2,1-3H3,(H2,20,21)
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n/an/a 2.95E+4n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 30 degree C


Bioorg Med Chem Lett 9: 407-12 (1999)


BindingDB Entry DOI: 10.7270/Q2BG2R5N
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50217338
PNG
(CHEMBL132688)
Show SMILES CNc1cccc(cc1=O)C1CCc2cc(OC)c(OC)c(OC)c12
Show InChI InChI=1S/C20H23NO4/c1-21-15-7-5-6-12(10-16(15)22)14-9-8-13-11-17(23-2)19(24-3)20(25-4)18(13)14/h5-7,10-11,14H,8-9H2,1-4H3,(H,21,22)
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n/an/a 3.06E+4n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 30 degree C


Bioorg Med Chem Lett 9: 407-12 (1999)


BindingDB Entry DOI: 10.7270/Q2BG2R5N
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50217337
PNG
(CHEMBL130312)
Show SMILES COc1cc2CCC(c2c(OC)c1OC)c1cccc(Br)c(=O)c1
Show InChI InChI=1S/C19H19BrO4/c1-22-16-10-12-7-8-13(17(12)19(24-3)18(16)23-2)11-5-4-6-14(20)15(21)9-11/h4-6,9-10,13H,7-8H2,1-3H3
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n/an/a 3.20E+4n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 30 degree C


Bioorg Med Chem Lett 9: 407-12 (1999)


BindingDB Entry DOI: 10.7270/Q2BG2R5N
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50217332
PNG
(CHEMBL131756)
Show SMILES COc1cc(ccc1O)C1CCc2cc(OC)c(OC)c(OC)c12
Show InChI InChI=1S/C19H22O5/c1-21-15-9-11(6-8-14(15)20)13-7-5-12-10-16(22-2)18(23-3)19(24-4)17(12)13/h6,8-10,13,20H,5,7H2,1-4H3
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n/an/a 4.64E+4n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 30 degree C


Bioorg Med Chem Lett 9: 407-12 (1999)


BindingDB Entry DOI: 10.7270/Q2BG2R5N
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50217332
PNG
(CHEMBL131756)
Show SMILES COc1cc(ccc1O)C1CCc2cc(OC)c(OC)c(OC)c12
Show InChI InChI=1S/C19H22O5/c1-21-15-9-11(6-8-14(15)20)13-7-5-12-10-16(22-2)18(23-3)19(24-4)17(12)13/h6,8-10,13,20H,5,7H2,1-4H3
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n/an/a 4.64E+4n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 37 degree C


Bioorg Med Chem Lett 9: 407-12 (1999)


BindingDB Entry DOI: 10.7270/Q2BG2R5N
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50217332
PNG
(CHEMBL131756)
Show SMILES COc1cc(ccc1O)C1CCc2cc(OC)c(OC)c(OC)c12
Show InChI InChI=1S/C19H22O5/c1-21-15-9-11(6-8-14(15)20)13-7-5-12-10-16(22-2)18(23-3)19(24-4)17(12)13/h6,8-10,13,20H,5,7H2,1-4H3
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n/an/a 4.64E+4n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 45 degree C


Bioorg Med Chem Lett 9: 407-12 (1999)


BindingDB Entry DOI: 10.7270/Q2BG2R5N
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50217333
PNG
(CHEMBL336290)
Show SMILES COc1cc2CCC(c2c(OC)c1OC)c1cccc(OC)c(=O)c1
Show InChI InChI=1S/C20H22O5/c1-22-16-7-5-6-12(10-15(16)21)14-9-8-13-11-17(23-2)19(24-3)20(25-4)18(13)14/h5-7,10-11,14H,8-9H2,1-4H3
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n/an/a 1.08E+5n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 30 degree C


Bioorg Med Chem Lett 9: 407-12 (1999)


BindingDB Entry DOI: 10.7270/Q2BG2R5N
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50060961
PNG
((1S,3aS,3bR,10bS,12aS)-1-Hydroxy-7-methoxy-12a-met...)
Show SMILES COc1cc2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3c2ccc1=O
Show InChI InChI=1S/C20H26O3/c1-20-10-9-14-13-5-7-17(21)18(23-2)11-12(13)3-4-15(14)16(20)6-8-19(20)22/h5,7,11,14-16,19,22H,3-4,6,8-10H2,1-2H3/t14-,15-,16+,19+,20+/m1/s1
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n/an/a 2.10E+6n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 40: 3836-41 (1997)


Article DOI: 10.1021/jm970323e
BindingDB Entry DOI: 10.7270/Q2W09522
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50060959
PNG
((1S,3aS,3bR,10bS,12aS)-7-Ethoxy-1-hydroxy-12a-meth...)
Show SMILES CCOc1cc2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3c2ccc1=O
Show InChI InChI=1S/C21H28O3/c1-3-24-19-12-13-4-5-16-15(14(13)6-8-18(19)22)10-11-21(2)17(16)7-9-20(21)23/h6,8,12,15-17,20,23H,3-5,7,9-11H2,1-2H3/t15-,16-,17+,20+,21+/m1/s1
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n/an/a 5.90E+6n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 40: 3836-41 (1997)


Article DOI: 10.1021/jm970323e
BindingDB Entry DOI: 10.7270/Q2W09522
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50060954
PNG
((1S,3aS,3bR,10bS,12aS)-1-Hydroxy-8-methoxy-12a-met...)
Show SMILES COc1ccc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1=O
Show InChI InChI=1S/C20H26O3/c1-20-10-9-14-13-5-7-18(23-2)17(21)11-12(13)3-4-15(14)16(20)6-8-19(20)22/h5,7,11,14-16,19,22H,3-4,6,8-10H2,1-2H3/t14-,15-,16+,19+,20+/m1/s1
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n/an/a 8.10E+6n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 40: 3836-41 (1997)


Article DOI: 10.1021/jm970323e
BindingDB Entry DOI: 10.7270/Q2W09522
More data for this
Ligand-Target Pair
Tubulin beta-2B 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 |r|
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 1.12E+7n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 40: 3836-41 (1997)


Article DOI: 10.1021/jm970323e
BindingDB Entry DOI: 10.7270/Q2W09522
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta-2B chain


(Bos taurus)
BDBM50060960
PNG
((1S,3aS,3bR,10bS,12aS)-7-Bromo-1-hydroxy-12a-methy...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(Br)c(=O)ccc34)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C19H23BrO2/c1-19-9-8-13-12-4-6-17(21)16(20)10-11(12)2-3-14(13)15(19)5-7-18(19)22/h4,6,10,13-15,18,22H,2-3,5,7-9H2,1H3/t13-,14-,15+,18+,19+/m1/s1
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n/an/a 1.12E+7n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 40: 3836-41 (1997)


Article DOI: 10.1021/jm970323e
BindingDB Entry DOI: 10.7270/Q2W09522
More data for this
Ligand-Target Pair
Tubulin beta-2B 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 |r|
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 1.42E+7n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 40: 3836-41 (1997)


Article DOI: 10.1021/jm970323e
BindingDB Entry DOI: 10.7270/Q2W09522
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50060958
PNG
((1S,3aS,3bR,10bS,12aS)-1-Hydroxy-8-methoxy-12a-met...)
Show SMILES COc1ccc2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3c2cc1=O
Show InChI InChI=1S/C20H26O3/c1-20-10-9-13-14(16(20)6-8-19(20)22)5-3-12-4-7-18(23-2)17(21)11-15(12)13/h4,7,11,13-14,16,19,22H,3,5-6,8-10H2,1-2H3/t13-,14+,16-,19-,20-/m0/s1
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n/an/a 2.75E+7n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 40: 3836-41 (1997)


Article DOI: 10.1021/jm970323e
BindingDB Entry DOI: 10.7270/Q2W09522
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50060951
PNG
((1S,3aS,3bR,10bS,12aS)-1-Hydroxy-9-methoxy-12a-met...)
Show SMILES COc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2ccc1=O
Show InChI InChI=1S/C20H26O3/c1-20-10-9-13-14(16(20)6-8-19(20)22)5-3-12-4-7-17(21)18(23-2)11-15(12)13/h4,7,11,13-14,16,19,22H,3,5-6,8-10H2,1-2H3/t13-,14+,16-,19-,20-/m0/s1
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n/an/a 2.98E+7n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 40: 3836-41 (1997)


Article DOI: 10.1021/jm970323e
BindingDB Entry DOI: 10.7270/Q2W09522
More data for this
Ligand-Target Pair