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Compile Data Set for Download or QSAR

Found 23 hits from Department of Chemistry, University of Virginia, Charlottesville 22901, USA.   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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)
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 8.70E+3n/an/an/an/an/an/a



Department of Chemistry, University of Virginia, Charlottesville 22901, USA.

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)


Article DOI: 10.1016/s0960-894x(98)00747-1
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
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



Department of Chemistry, University of Virginia, Charlottesville 22901, USA.

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)


Article DOI: 10.1016/s0960-894x(98)00747-1
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



Department of Chemistry, University of Virginia, Charlottesville 22901, USA.

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)


Article DOI: 10.1016/s0960-894x(98)00747-1
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



Department of Chemistry, University of Virginia, Charlottesville 22901, USA.

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)


Article DOI: 10.1016/s0960-894x(98)00747-1
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
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



Department of Chemistry, University of Virginia, Charlottesville 22901, USA.

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)


Article DOI: 10.1016/s0960-894x(98)00747-1
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



Department of Chemistry, University of Virginia, Charlottesville 22901, USA.

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)


Article DOI: 10.1016/s0960-894x(98)00747-1
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



Department of Chemistry, University of Virginia, Charlottesville 22901, USA.

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)


Article DOI: 10.1016/s0960-894x(98)00747-1
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



Department of Chemistry, University of Virginia, Charlottesville 22901, USA.

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)


Article DOI: 10.1016/s0960-894x(98)00747-1
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



Department of Chemistry, University of Virginia, Charlottesville 22901, USA.

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)


Article DOI: 10.1016/s0960-894x(98)00747-1
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



Department of Chemistry, University of Virginia, Charlottesville 22901, USA.

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)


Article DOI: 10.1016/s0960-894x(98)00747-1
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



Department of Chemistry, University of Virginia, Charlottesville 22901, USA.

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)


Article DOI: 10.1016/s0960-894x(98)00747-1
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



Department of Chemistry, University of Virginia, Charlottesville 22901, USA.

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)


Article DOI: 10.1016/s0960-894x(98)00747-1
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



Department of Chemistry, University of Virginia, Charlottesville 22901, USA.

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)


Article DOI: 10.1016/s0960-894x(98)00747-1
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



Department of Chemistry, University of Virginia, Charlottesville 22901, USA.

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)


Article DOI: 10.1016/s0960-894x(98)00747-1
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



Department of Chemistry, University of Virginia, Charlottesville 22901, USA.

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)


Article DOI: 10.1016/s0960-894x(98)00747-1
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



Department of Chemistry, University of Virginia, Charlottesville 22901, USA.

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)


Article DOI: 10.1016/s0960-894x(98)00747-1
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



Department of Chemistry, University of Virginia, Charlottesville 22901, USA.

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)


Article DOI: 10.1016/s0960-894x(98)00747-1
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



Department of Chemistry, University of Virginia, Charlottesville 22901, USA.

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)


Article DOI: 10.1016/s0960-894x(98)00747-1
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



Department of Chemistry, University of Virginia, Charlottesville 22901, USA.

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)


Article DOI: 10.1016/s0960-894x(98)00747-1
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



Department of Chemistry, University of Virginia, Charlottesville 22901, USA.

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)


Article DOI: 10.1016/s0960-894x(98)00747-1
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



Department of Chemistry, University of Virginia, Charlottesville 22901, USA.

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)


Article DOI: 10.1016/s0960-894x(98)00747-1
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



Department of Chemistry, University of Virginia, Charlottesville 22901, USA.

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)


Article DOI: 10.1016/s0960-894x(98)00747-1
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



Department of Chemistry, University of Virginia, Charlottesville 22901, USA.

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)


Article DOI: 10.1016/s0960-894x(98)00747-1
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Ligand-Target Pair