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Compile Data Set for Download or QSAR

Found 19 hits with Last Name = 'udvardy' and Initial = 'a'   
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 440n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin assessed as rate of assembly preincubated for 15 mins by turbidimetry


Eur J Med Chem 84: 476-90 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.050
BindingDB Entry DOI: 10.7270/Q2VH5QGD
More data for this
Ligand-Target Pair
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 1.20E+3n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin assessed as extent of assembly preincubated for 15 mins by turbidimetry


Eur J Med Chem 84: 476-90 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.050
BindingDB Entry DOI: 10.7270/Q2VH5QGD
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50055045
PNG
(CHEMBL3323243)
Show SMILES [H][C@@]1(OC(=O)c2c1ccc(OC)c2OC)[C@]1([H])N(C)CCc2c(c3OCOc3c(OC)c12)-c1ccc(C)cc1 |r|
Show InChI InChI=1S/C29H29NO7/c1-15-6-8-16(9-7-15)20-17-12-13-30(2)23(21(17)26(34-5)28-27(20)35-14-36-28)24-18-10-11-19(32-3)25(33-4)22(18)29(31)37-24/h6-11,23-24H,12-14H2,1-5H3/t23-,24+/m1/s1
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n/an/a 4.50E+4n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin assessed as rate of assembly preincubated for 15 mins by turbidimetry


Eur J Med Chem 84: 476-90 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.050
BindingDB Entry DOI: 10.7270/Q2VH5QGD
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50055045
PNG
(CHEMBL3323243)
Show SMILES [H][C@@]1(OC(=O)c2c1ccc(OC)c2OC)[C@]1([H])N(C)CCc2c(c3OCOc3c(OC)c12)-c1ccc(C)cc1 |r|
Show InChI InChI=1S/C29H29NO7/c1-15-6-8-16(9-7-15)20-17-12-13-30(2)23(21(17)26(34-5)28-27(20)35-14-36-28)24-18-10-11-19(32-3)25(33-4)22(18)29(31)37-24/h6-11,23-24H,12-14H2,1-5H3/t23-,24+/m1/s1
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n/an/a 1.20E+5n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin assessed as extent of assembly preincubated for 15 mins by turbidimetry


Eur J Med Chem 84: 476-90 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.050
BindingDB Entry DOI: 10.7270/Q2VH5QGD
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50055046
PNG
(CHEMBL3323245)
Show SMILES [H][C@@]1(OC(=O)c2c1ccc(OC)c2OC)[C@]1([H])N(C)CCc2c(c3OCOc3c(OC)c12)-c1cccc(OC)c1 |r|
Show InChI InChI=1S/C29H29NO8/c1-30-12-11-17-20(15-7-6-8-16(13-15)32-2)27-28(37-14-36-27)26(35-5)21(17)23(30)24-18-9-10-19(33-3)25(34-4)22(18)29(31)38-24/h6-10,13,23-24H,11-12,14H2,1-5H3/t23-,24+/m1/s1
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n/an/a 1.70E+5n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin assessed as rate of assembly preincubated for 15 mins by turbidimetry


Eur J Med Chem 84: 476-90 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.050
BindingDB Entry DOI: 10.7270/Q2VH5QGD
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50424716
PNG
(NOSCAPINE | Narcotine | Tusscapine)
Show SMILES COc1ccc2[C@H](OC(=O)c2c1OC)[C@@H]1N(C)CCc2cc3OCOc3c(OC)c12
Show InChI InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m1/s1
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n/an/a 1.70E+5n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin assessed as rate of assembly preincubated for 15 mins by turbidimetry


Eur J Med Chem 84: 476-90 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.050
BindingDB Entry DOI: 10.7270/Q2VH5QGD
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50055044
PNG
(CHEMBL3323241)
Show SMILES [H][C@@]1(OC(=O)c2c1ccc(OC)c2OC)[C@]1([H])N(C)CCc2c(C)c3OCOc3c(OC)c12 |r|
Show InChI InChI=1S/C23H25NO7/c1-11-12-8-9-24(2)17(15(12)21(28-5)22-18(11)29-10-30-22)19-13-6-7-14(26-3)20(27-4)16(13)23(25)31-19/h6-7,17,19H,8-10H2,1-5H3/t17-,19+/m1/s1
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n/an/a 2.20E+5n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin assessed as rate of assembly preincubated for 15 mins by turbidimetry


Eur J Med Chem 84: 476-90 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.050
BindingDB Entry DOI: 10.7270/Q2VH5QGD
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50055046
PNG
(CHEMBL3323245)
Show SMILES [H][C@@]1(OC(=O)c2c1ccc(OC)c2OC)[C@]1([H])N(C)CCc2c(c3OCOc3c(OC)c12)-c1cccc(OC)c1 |r|
Show InChI InChI=1S/C29H29NO8/c1-30-12-11-17-20(15-7-6-8-16(13-15)32-2)27-28(37-14-36-27)26(35-5)21(17)23(30)24-18-9-10-19(33-3)25(34-4)22(18)29(31)38-24/h6-10,13,23-24H,11-12,14H2,1-5H3/t23-,24+/m1/s1
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n/an/a>4.00E+5n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin assessed as extent of assembly preincubated for 15 mins by turbidimetry


Eur J Med Chem 84: 476-90 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.050
BindingDB Entry DOI: 10.7270/Q2VH5QGD
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50055041
PNG
(CHEMBL3323240)
Show SMILES [H][C@@]1(OC(=O)c2c1ccc(OC)c2OC)[C@]1([H])N(C)CCc2c(Br)c3OCOc3c(OC)c12 |r|
Show InChI InChI=1S/C22H22BrNO7/c1-24-8-7-10-13(19(28-4)21-20(15(10)23)29-9-30-21)16(24)17-11-5-6-12(26-2)18(27-3)14(11)22(25)31-17/h5-6,16-17H,7-9H2,1-4H3/t16-,17+/m1/s1
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n/an/a>4.00E+5n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin assessed as rate of assembly preincubated for 15 mins by turbidimetry


Eur J Med Chem 84: 476-90 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.050
BindingDB Entry DOI: 10.7270/Q2VH5QGD
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50055042
PNG
(CHEMBL3323242)
Show SMILES [H][C@@]1(OC(=O)c2c1ccc(OC)c2OC)[C@]1([H])N(C)CCc2c(c3OCOc3c(OC)c12)-c1ccccc1 |r|
Show InChI InChI=1S/C28H27NO7/c1-29-13-12-16-19(15-8-6-5-7-9-15)26-27(35-14-34-26)25(33-4)20(16)22(29)23-17-10-11-18(31-2)24(32-3)21(17)28(30)36-23/h5-11,22-23H,12-14H2,1-4H3/t22-,23+/m1/s1
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n/an/a>4.00E+5n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin assessed as rate of assembly preincubated for 15 mins by turbidimetry


Eur J Med Chem 84: 476-90 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.050
BindingDB Entry DOI: 10.7270/Q2VH5QGD
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50055043
PNG
(CHEMBL3323244)
Show SMILES [H][C@@]1(OC(=O)c2c1ccc(OC)c2OC)[C@]1([H])N(C)CCc2c(c3OCOc3c(OC)c12)-c1ccccc1OC |r,wD:15.17,1.0,(20.04,-28.64,;21.39,-29.41,;22.64,-30.31,;22.16,-31.78,;23.07,-33.02,;20.62,-31.78,;20.15,-30.32,;18.65,-30.01,;17.62,-31.15,;18.11,-32.61,;17.08,-33.76,;15.58,-33.45,;19.61,-32.92,;20.09,-34.38,;19.06,-35.53,;21.38,-27.87,;22.7,-28.63,;22.72,-27.09,;24.06,-27.85,;22.72,-25.53,;21.37,-24.76,;20.03,-25.54,;18.69,-24.78,;17.37,-25.55,;15.89,-25.07,;14.98,-26.32,;15.89,-27.57,;17.36,-27.09,;18.7,-27.86,;18.69,-29.4,;17.36,-30.17,;20.04,-27.1,;18.69,-23.24,;20.02,-22.47,;20.02,-20.94,;18.68,-20.17,;17.35,-20.95,;17.35,-22.48,;16.03,-23.26,;14.69,-22.5,)|
Show InChI InChI=1S/C29H29NO8/c1-30-13-12-16-20(15-8-6-7-9-18(15)32-2)27-28(37-14-36-27)26(35-5)21(16)23(30)24-17-10-11-19(33-3)25(34-4)22(17)29(31)38-24/h6-11,23-24H,12-14H2,1-5H3/t23-,24+/m1/s1
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n/an/a>4.00E+5n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin assessed as rate of assembly preincubated for 15 mins by turbidimetry


Eur J Med Chem 84: 476-90 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.050
BindingDB Entry DOI: 10.7270/Q2VH5QGD
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50055043
PNG
(CHEMBL3323244)
Show SMILES [H][C@@]1(OC(=O)c2c1ccc(OC)c2OC)[C@]1([H])N(C)CCc2c(c3OCOc3c(OC)c12)-c1ccccc1OC |r,wD:15.17,1.0,(20.04,-28.64,;21.39,-29.41,;22.64,-30.31,;22.16,-31.78,;23.07,-33.02,;20.62,-31.78,;20.15,-30.32,;18.65,-30.01,;17.62,-31.15,;18.11,-32.61,;17.08,-33.76,;15.58,-33.45,;19.61,-32.92,;20.09,-34.38,;19.06,-35.53,;21.38,-27.87,;22.7,-28.63,;22.72,-27.09,;24.06,-27.85,;22.72,-25.53,;21.37,-24.76,;20.03,-25.54,;18.69,-24.78,;17.37,-25.55,;15.89,-25.07,;14.98,-26.32,;15.89,-27.57,;17.36,-27.09,;18.7,-27.86,;18.69,-29.4,;17.36,-30.17,;20.04,-27.1,;18.69,-23.24,;20.02,-22.47,;20.02,-20.94,;18.68,-20.17,;17.35,-20.95,;17.35,-22.48,;16.03,-23.26,;14.69,-22.5,)|
Show InChI InChI=1S/C29H29NO8/c1-30-13-12-16-20(15-8-6-7-9-18(15)32-2)27-28(37-14-36-27)26(35-5)21(16)23(30)24-17-10-11-19(33-3)25(34-4)22(17)29(31)38-24/h6-11,23-24H,12-14H2,1-5H3/t23-,24+/m1/s1
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n/an/a>4.00E+5n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin assessed as extent of assembly preincubated for 15 mins by turbidimetry


Eur J Med Chem 84: 476-90 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.050
BindingDB Entry DOI: 10.7270/Q2VH5QGD
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50055042
PNG
(CHEMBL3323242)
Show SMILES [H][C@@]1(OC(=O)c2c1ccc(OC)c2OC)[C@]1([H])N(C)CCc2c(c3OCOc3c(OC)c12)-c1ccccc1 |r|
Show InChI InChI=1S/C28H27NO7/c1-29-13-12-16-19(15-8-6-5-7-9-15)26-27(35-14-34-26)25(33-4)20(16)22(29)23-17-10-11-18(31-2)24(32-3)21(17)28(30)36-23/h5-11,22-23H,12-14H2,1-4H3/t22-,23+/m1/s1
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n/an/a>4.00E+5n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin assessed as extent of assembly preincubated for 15 mins by turbidimetry


Eur J Med Chem 84: 476-90 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.050
BindingDB Entry DOI: 10.7270/Q2VH5QGD
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50055044
PNG
(CHEMBL3323241)
Show SMILES [H][C@@]1(OC(=O)c2c1ccc(OC)c2OC)[C@]1([H])N(C)CCc2c(C)c3OCOc3c(OC)c12 |r|
Show InChI InChI=1S/C23H25NO7/c1-11-12-8-9-24(2)17(15(12)21(28-5)22-18(11)29-10-30-22)19-13-6-7-14(26-3)20(27-4)16(13)23(25)31-19/h6-7,17,19H,8-10H2,1-5H3/t17-,19+/m1/s1
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n/an/a>4.00E+5n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin assessed as extent of assembly preincubated for 15 mins by turbidimetry


Eur J Med Chem 84: 476-90 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.050
BindingDB Entry DOI: 10.7270/Q2VH5QGD
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50055041
PNG
(CHEMBL3323240)
Show SMILES [H][C@@]1(OC(=O)c2c1ccc(OC)c2OC)[C@]1([H])N(C)CCc2c(Br)c3OCOc3c(OC)c12 |r|
Show InChI InChI=1S/C22H22BrNO7/c1-24-8-7-10-13(19(28-4)21-20(15(10)23)29-9-30-21)16(24)17-11-5-6-12(26-2)18(27-3)14(11)22(25)31-17/h5-6,16-17H,7-9H2,1-4H3/t16-,17+/m1/s1
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n/an/a>4.00E+5n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin assessed as extent of assembly preincubated for 15 mins by turbidimetry


Eur J Med Chem 84: 476-90 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.050
BindingDB Entry DOI: 10.7270/Q2VH5QGD
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50424716
PNG
(NOSCAPINE | Narcotine | Tusscapine)
Show SMILES COc1ccc2[C@H](OC(=O)c2c1OC)[C@@H]1N(C)CCc2cc3OCOc3c(OC)c12
Show InChI InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m1/s1
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n/an/a>4.00E+5n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin assessed as extent of assembly preincubated for 15 mins by turbidimetry


Eur J Med Chem 84: 476-90 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.050
BindingDB Entry DOI: 10.7270/Q2VH5QGD
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50055043
PNG
(CHEMBL3323244)
Show SMILES [H][C@@]1(OC(=O)c2c1ccc(OC)c2OC)[C@]1([H])N(C)CCc2c(c3OCOc3c(OC)c12)-c1ccccc1OC |r,wD:15.17,1.0,(20.04,-28.64,;21.39,-29.41,;22.64,-30.31,;22.16,-31.78,;23.07,-33.02,;20.62,-31.78,;20.15,-30.32,;18.65,-30.01,;17.62,-31.15,;18.11,-32.61,;17.08,-33.76,;15.58,-33.45,;19.61,-32.92,;20.09,-34.38,;19.06,-35.53,;21.38,-27.87,;22.7,-28.63,;22.72,-27.09,;24.06,-27.85,;22.72,-25.53,;21.37,-24.76,;20.03,-25.54,;18.69,-24.78,;17.37,-25.55,;15.89,-25.07,;14.98,-26.32,;15.89,-27.57,;17.36,-27.09,;18.7,-27.86,;18.69,-29.4,;17.36,-30.17,;20.04,-27.1,;18.69,-23.24,;20.02,-22.47,;20.02,-20.94,;18.68,-20.17,;17.35,-20.95,;17.35,-22.48,;16.03,-23.26,;14.69,-22.5,)|
Show InChI InChI=1S/C29H29NO8/c1-30-13-12-16-20(15-8-6-7-9-18(15)32-2)27-28(37-14-36-27)26(35-5)21(16)23(30)24-17-10-11-19(33-3)25(34-4)22(17)29(31)38-24/h6-11,23-24H,12-14H2,1-5H3/t23-,24+/m1/s1
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UniProtKB/TrEMBL

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n/an/a>4.00E+5n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Displacement of [3H]colchicine from bovine brain tubulin assessed as rate of assembly after 10 mins by liquid scintillation counting


Eur J Med Chem 84: 476-90 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.050
BindingDB Entry DOI: 10.7270/Q2VH5QGD
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50055041
PNG
(CHEMBL3323240)
Show SMILES [H][C@@]1(OC(=O)c2c1ccc(OC)c2OC)[C@]1([H])N(C)CCc2c(Br)c3OCOc3c(OC)c12 |r|
Show InChI InChI=1S/C22H22BrNO7/c1-24-8-7-10-13(19(28-4)21-20(15(10)23)29-9-30-21)16(24)17-11-5-6-12(26-2)18(27-3)14(11)22(25)31-17/h5-6,16-17H,7-9H2,1-4H3/t16-,17+/m1/s1
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n/an/a>4.00E+5n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Displacement of [3H]colchicine from bovine brain tubulin assessed as rate of assembly after 10 mins by liquid scintillation counting


Eur J Med Chem 84: 476-90 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.050
BindingDB Entry DOI: 10.7270/Q2VH5QGD
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50055042
PNG
(CHEMBL3323242)
Show SMILES [H][C@@]1(OC(=O)c2c1ccc(OC)c2OC)[C@]1([H])N(C)CCc2c(c3OCOc3c(OC)c12)-c1ccccc1 |r|
Show InChI InChI=1S/C28H27NO7/c1-29-13-12-16-19(15-8-6-5-7-9-15)26-27(35-14-34-26)25(33-4)20(16)22(29)23-17-10-11-18(31-2)24(32-3)21(17)28(30)36-23/h5-11,22-23H,12-14H2,1-4H3/t22-,23+/m1/s1
PDB

UniProtKB/TrEMBL

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CHEMBL
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UniChem

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Article
PubMed
n/an/a>4.00E+5n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Displacement of [3H]colchicine from bovine brain tubulin assessed as rate of assembly after 10 mins by liquid scintillation counting


Eur J Med Chem 84: 476-90 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.050
BindingDB Entry DOI: 10.7270/Q2VH5QGD
More data for this
Ligand-Target Pair