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Compile Data Set for Download or QSAR

Found 25 hits Enz. Inhib. hit(s) with Target = 'Tubulin beta chain' and Ligand = 'BDBM50005480'   
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 chain


(Sus scrofa)
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 520n/an/an/an/an/an/a



Minia University

Curated by ChEMBL


Assay Description
Inhibition of porcine brain tubulin polymerization assessed as decrease in fluorescence intensity measured every 60 sec for 90 mins in presence of GT...


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111697
BindingDB Entry DOI: 10.7270/Q2PG1W17
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta chain


(Sus scrofa)
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 600n/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Inhibition of pig brain tubulin polymerization


Bioorg Med Chem 16: 4829-38 (2008)


Article DOI: 10.1016/j.bmc.2008.03.049
BindingDB Entry DOI: 10.7270/Q2CZ39XN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta chain


(Sus scrofa)
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 600n/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Inhibition of porcine brain tubulin polymerization after 60 mins


Bioorg Med Chem 20: 234-42 (2012)


Article DOI: 10.1016/j.bmc.2011.11.010
BindingDB Entry DOI: 10.7270/Q2SF301T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta chain


(Sus scrofa)
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 600n/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Inhibition of pig tubulin polymerization


Bioorg Med Chem 18: 6874-85 (2010)


Article DOI: 10.1016/j.bmc.2010.07.032
BindingDB Entry DOI: 10.7270/Q20V8GM4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta chain


(Sus scrofa)
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 1.00E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d0md00372g
BindingDB Entry DOI: 10.7270/Q26Q227F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta chain


(Sus scrofa)
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 1.00E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of pig brain tubulin assembly preincubated for 15 mins followed by GTP addition measured after 20 mins by spectrophotometric analysis in p...


J Med Chem 56: 6829-44 (2013)


Article DOI: 10.1021/jm400639z
BindingDB Entry DOI: 10.7270/Q2Z60S0W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta chain


(Sus scrofa)
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 1.00E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.117007
BindingDB Entry DOI: 10.7270/Q2WH2V39
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta chain


(Sus scrofa)
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 1.06E+3n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of porcine brain tubulin polymerization after 1 hr by fluorescence assay


Bioorg Med Chem 24: 1729-40 (2016)


Article DOI: 10.1016/j.bmc.2016.02.047
BindingDB Entry DOI: 10.7270/Q22809G0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta chain


(Sus scrofa)
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 1.10E+3n/an/an/an/an/an/a



Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of pig brain tubulin polymerization in presence of GTP by spectrophotometric analysis


Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111732
BindingDB Entry DOI: 10.7270/Q2GT5RGH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta chain


(Sus scrofa)
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 1.30E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114271
BindingDB Entry DOI: 10.7270/Q2G44VC4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta chain


(Sus scrofa)
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 1.32E+3n/an/an/an/an/an/a



University of Milan-Bicocca

Curated by ChEMBL


Assay Description
Inhibition of porcine brain tubulin polymerization after 30 mins by spectrophotometry


J Med Chem 55: 2112-24 (2012)


Article DOI: 10.1021/jm201344a
BindingDB Entry DOI: 10.7270/Q2MK6GR0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta chain


(Sus scrofa)
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 1.60E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of pig brain tubulin polymerization by spectrophotometric method


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111679
BindingDB Entry DOI: 10.7270/Q2X06B9F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta chain


(Sus scrofa)
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 1.77E+3n/an/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Inhibition of porcine brain tubulin assembly measured every 1 min for 60 mins by turbidimetric analysis


J Med Chem 55: 5720-33 (2012)


Article DOI: 10.1021/jm300596s
BindingDB Entry DOI: 10.7270/Q2Z89G8V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta chain


(Sus scrofa)
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 1.87E+3n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of porcine brain tubulin polymerization measured at 1 min interval for 1 hr by fluorescence plate reader assay


Bioorg Med Chem Lett 26: 4527-4535 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.044
BindingDB Entry DOI: 10.7270/Q2RF5ZJK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta chain


(Sus scrofa)
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 2.12E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of porcine brain tubulin polymerization preincubated for 30 mins and measured every 2 mins for 60 mins by spectrophotometric analysis


Eur J Med Chem 163: 428-442 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.070
BindingDB Entry DOI: 10.7270/Q2ZC86CJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta chain


(Sus scrofa)
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 2.12E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of porcine brain tubulin polymerization preincubated for 30 mins and measured every 2 mins for 60 mins by spectrophotometric analysis


Eur J Med Chem 163: 428-442 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.070
BindingDB Entry DOI: 10.7270/Q2ZC86CJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta chain


(Sus scrofa)
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 2.18E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of porcine brain tubulin polymerization


Eur J Med Chem 163: 896-910 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.030
BindingDB Entry DOI: 10.7270/Q2J67MD4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta chain


(Sus scrofa)
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 2.18E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of porcine brain tubulin polymerization


Eur J Med Chem 163: 896-910 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.030
BindingDB Entry DOI: 10.7270/Q2J67MD4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta chain


(Sus scrofa)
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 2.20E+3n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Inhibition of pig tubulin polymerization by spectrophotometry


Bioorg Med Chem Lett 22: 6731-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.089
BindingDB Entry DOI: 10.7270/Q2NS0XRG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta chain


(Sus scrofa)
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 2.48E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of porcine brain tubulin polymerization incubated for 60 mins by fluorescence-based assay


J Med Chem 59: 5341-55 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00071
BindingDB Entry DOI: 10.7270/Q2BG2SG3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta chain


(Sus scrofa)
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 2.53E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of porcine brain tubulin polymerization measured every 2 mins for 60 mins by spectrophotometric analysis


J Med Chem 62: 993-1013 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01755
BindingDB Entry DOI: 10.7270/Q2CV4N1G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta chain


(Sus scrofa)
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 3.90E+3n/an/an/an/an/an/a



University of Lille

Curated by ChEMBL


Assay Description
Inhibition of pig brain tubulin polymerization at 37 degC by turbidimetry analysis


Bioorg Med Chem 19: 6042-54 (2011)


Article DOI: 10.1016/j.bmc.2011.08.047
BindingDB Entry DOI: 10.7270/Q2QN69MR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta chain


(Sus scrofa)
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 4.00E+3n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
In vitro tubulin polymerization-inhibitory activity.


Bioorg Med Chem Lett 8: 1997-2000 (1998)


BindingDB Entry DOI: 10.7270/Q2VH5R10
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta chain


(Sus scrofa)
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 4.22E+3n/an/an/an/an/an/a



Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of pig brain tubulin polymerization by spectrophotometric analysis


Eur J Med Chem 162: 525-533 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.038
BindingDB Entry DOI: 10.7270/Q2CC1436
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta chain


(Sus scrofa)
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 4.50E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of porcine brain tubulin polymerization by turbidity assay


Bioorg Med Chem 21: 7381-91 (2013)


Article DOI: 10.1016/j.bmc.2013.09.046
BindingDB Entry DOI: 10.7270/Q2K93BGJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)