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Compile Data Set for Download or QSAR

Found 40 hits with Last Name = 'jung' and Initial = 'mk'   
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)
BDBM50473762
PNG
(CHEMBL90904)
Show SMILES COc1ccc(cc1)-c1oc2cc(OC)ccc2c1C(=O)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C26H24O7/c1-28-17-8-6-15(7-9-17)25-23(19-11-10-18(29-2)14-20(19)33-25)24(27)16-12-21(30-3)26(32-5)22(13-16)31-4/h6-14H,1-5H3
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n/an/a 410n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Inhibition of tubulin (10 uM) polymerization, after a 20 min incubation at 30 degrees Centigrade


J Med Chem 45: 2670-3 (2002)


Article DOI: 10.1021/jm020077t
BindingDB Entry DOI: 10.7270/Q2VX0K89
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50475850
PNG
(CHEMBL378632)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)c1cc(sc1N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H18ClNO4S/c1-24-15-8-12(9-16(25-2)19(15)26-3)18(23)14-10-17(27-20(14)22)11-4-6-13(21)7-5-11/h4-10H,22H2,1-3H3
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n/an/a 980n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization in bovine brain by tubulin assembly assay


J Med Chem 49: 3906-15 (2006)


Article DOI: 10.1021/jm060355e
BindingDB Entry DOI: 10.7270/Q20004VG
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50103820
PNG
(CHEMBL309058 | [2-(3-Hydroxy-4-methoxy-phenyl)-thi...)
Show SMILES COc1ccc(cc1O)-c1sccc1C(=O)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C21H20O6S/c1-24-16-6-5-12(9-15(16)22)21-14(7-8-28-21)19(23)13-10-17(25-2)20(27-4)18(11-13)26-3/h5-11,22H,1-4H3
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Australian National University

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of tubulin polymerization


Bioorg Med Chem Lett 11: 2341-3 (2001)


BindingDB Entry DOI: 10.7270/Q2WH2P8G
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50475851
PNG
(CHEMBL212515)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)c1cc(sc1N)-c1ccc(F)cc1
Show InChI InChI=1S/C20H18FNO4S/c1-24-15-8-12(9-16(25-2)19(15)26-3)18(23)14-10-17(27-20(14)22)11-4-6-13(21)7-5-11/h4-10H,22H2,1-3H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization in bovine brain by tubulin assembly assay


J Med Chem 49: 3906-15 (2006)


Article DOI: 10.1021/jm060355e
BindingDB Entry DOI: 10.7270/Q20004VG
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50475848
PNG
(CHEMBL380060)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)c1cc(sc1N)-c1ccc(C)cc1
Show InChI InChI=1S/C21H21NO4S/c1-12-5-7-13(8-6-12)18-11-15(21(22)27-18)19(23)14-9-16(24-2)20(26-4)17(10-14)25-3/h5-11H,22H2,1-4H3
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Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization in bovine brain by tubulin assembly assay


J Med Chem 49: 3906-15 (2006)


Article DOI: 10.1021/jm060355e
BindingDB Entry DOI: 10.7270/Q20004VG
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50473763
PNG
(CHEMBL409088)
Show SMILES COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(oc2c1)-c1ccc(OC)c(O)c1
Show InChI InChI=1S/C26H24O8/c1-29-16-7-8-17-20(13-16)34-25(14-6-9-19(30-2)18(27)10-14)23(17)24(28)15-11-21(31-3)26(33-5)22(12-15)32-4/h6-13,27H,1-5H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Inhibition of tubulin (10 uM) polymerization, after a 20 min incubation at 30 degrees Centigrade


J Med Chem 45: 2670-3 (2002)


Article DOI: 10.1021/jm020077t
BindingDB Entry DOI: 10.7270/Q2VX0K89
More data for this
Ligand-Target Pair
Tubulin beta chain [1-43]


(Leishmania donovani)
BDBM50170567
PNG
((3-Amino-6-methyl-benzo[b]thiophen-2-yl)-(3,4,5-tr...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)c1sc2cc(C)ccc2c1N
Show InChI InChI=1S/C19H19NO4S/c1-10-5-6-12-15(7-10)25-19(16(12)20)17(21)11-8-13(22-2)18(24-4)14(9-11)23-3/h5-9H,20H2,1-4H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Universitá di Ferrara

Curated by ChEMBL


Assay Description
Concentration required to inhibit tubulin polymerization at 10 uM


Bioorg Med Chem Lett 15: 4048-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.022
BindingDB Entry DOI: 10.7270/Q2XP74GG
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50473764
PNG
(CHEMBL89341)
Show SMILES COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c([nH]c2c1)-c1ccc(OC)c(O)c1
Show InChI InChI=1S/C26H25NO7/c1-30-16-7-8-17-18(13-16)27-24(14-6-9-20(31-2)19(28)10-14)23(17)25(29)15-11-21(32-3)26(34-5)22(12-15)33-4/h6-13,27-28H,1-5H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Inhibition of tubulin (10 uM) polymerization, after a 20 min incubation at 30 degrees Centigrade


J Med Chem 45: 2670-3 (2002)


Article DOI: 10.1021/jm020077t
BindingDB Entry DOI: 10.7270/Q2VX0K89
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50035218
PNG
(CHEMBL61 | PODOFILOX | Podophyllinic acid lactone ...)
Show SMILES COc1cc(cc(OC)c1OC)[C@H]1[C@@H]2[C@H](COC2=O)[C@@H](O)c2cc3OCOc3cc12 |r|
Show InChI InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization in bovine brain by tubulin assembly assay


J Med Chem 49: 3906-15 (2006)


Article DOI: 10.1021/jm060355e
BindingDB Entry DOI: 10.7270/Q20004VG
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50475852
PNG
(CHEMBL209011)
Show SMILES COc1cccc(c1)-c1cc(C(=O)c2cc(OC)c(OC)c(OC)c2)c(N)s1
Show InChI InChI=1S/C21H21NO5S/c1-24-14-7-5-6-12(8-14)18-11-15(21(22)28-18)19(23)13-9-16(25-2)20(27-4)17(10-13)26-3/h5-11H,22H2,1-4H3
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Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization in bovine brain by tubulin assembly assay


J Med Chem 49: 3906-15 (2006)


Article DOI: 10.1021/jm060355e
BindingDB Entry DOI: 10.7270/Q20004VG
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 1.70E+3n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization in bovine brain by tubulin assembly assay


J Med Chem 49: 3906-15 (2006)


Article DOI: 10.1021/jm060355e
BindingDB Entry DOI: 10.7270/Q20004VG
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50475847
PNG
(CHEMBL210239)
Show SMILES COc1ccc(cc1)-c1cc(C(=O)c2cc(OC)c(OC)c(OC)c2)c(N)s1
Show InChI InChI=1S/C21H21NO5S/c1-24-14-7-5-12(6-8-14)18-11-15(21(22)28-18)19(23)13-9-16(25-2)20(27-4)17(10-13)26-3/h5-11H,22H2,1-4H3
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Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization in bovine brain by tubulin assembly assay


J Med Chem 49: 3906-15 (2006)


Article DOI: 10.1021/jm060355e
BindingDB Entry DOI: 10.7270/Q20004VG
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM23940
PNG
(1,3-dimethoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]be...)
Show SMILES COc1ccc(\C=C/c2cc(OC)cc(OC)c2)cc1
Show InChI InChI=1S/C17H18O3/c1-18-15-8-6-13(7-9-15)4-5-14-10-16(19-2)12-17(11-14)20-3/h4-12H,1-3H3/b5-4-
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n/an/a 1.80E+3n/an/an/an/an/an/a



Arizona State University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization reported as IC50


J Med Chem 45: 2534-42 (2002)


Article DOI: 10.1021/jm010119y
BindingDB Entry DOI: 10.7270/Q20P12RK
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50475853
PNG
(CHEMBL379867)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)c1cc(sc1N)-c1ccccc1
Show InChI InChI=1S/C20H19NO4S/c1-23-15-9-13(10-16(24-2)19(15)25-3)18(22)14-11-17(26-20(14)21)12-7-5-4-6-8-12/h4-11H,21H2,1-3H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization in bovine brain by tubulin assembly assay


J Med Chem 49: 3906-15 (2006)


Article DOI: 10.1021/jm060355e
BindingDB Entry DOI: 10.7270/Q20004VG
More data for this
Ligand-Target Pair
Tubulin beta chain [1-43]


(Leishmania donovani)
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 2.00E+3n/an/an/an/an/an/a



Universitá di Ferrara

Curated by ChEMBL


Assay Description
Concentration required to inhibit tubulin polymerization at 10 uM


Bioorg Med Chem Lett 15: 4048-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.022
BindingDB Entry DOI: 10.7270/Q2XP74GG
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 2.00E+3n/an/an/an/an/an/a



Arizona State University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization reported as IC50


J Med Chem 45: 2534-42 (2002)


Article DOI: 10.1021/jm010119y
BindingDB Entry DOI: 10.7270/Q20P12RK
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
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 2.10E+3n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of tubulin polymerization


Bioorg Med Chem Lett 11: 2341-3 (2001)


BindingDB Entry DOI: 10.7270/Q2WH2P8G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 2.10E+3n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Inhibition of tubulin (10 uM) polymerization, after a 20 min incubation at 30 degrees Centigrade


J Med Chem 45: 2670-3 (2002)


Article DOI: 10.1021/jm020077t
BindingDB Entry DOI: 10.7270/Q2VX0K89
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50475849
PNG
(CHEMBL212734)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)c1c(N)sc(c1C)-c1ccccc1
Show InChI InChI=1S/C21H21NO4S/c1-12-17(21(22)27-20(12)13-8-6-5-7-9-13)18(23)14-10-15(24-2)19(26-4)16(11-14)25-3/h5-11H,22H2,1-4H3
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n/an/a 2.20E+3n/an/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization in bovine brain by tubulin assembly assay


J Med Chem 49: 3906-15 (2006)


Article DOI: 10.1021/jm060355e
BindingDB Entry DOI: 10.7270/Q20004VG
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50473768
PNG
(CHEMBL314534)
Show SMILES COc1ccc(cc1)-c1oc2cc(OC)ccc2c1Cc1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C26H26O6/c1-27-18-8-6-17(7-9-18)25-21(20-11-10-19(28-2)15-22(20)32-25)12-16-13-23(29-3)26(31-5)24(14-16)30-4/h6-11,13-15H,12H2,1-5H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Inhibition of tubulin (10 uM) polymerization, after a 20 min incubation at 30 degrees Centigrade


J Med Chem 45: 2670-3 (2002)


Article DOI: 10.1021/jm020077t
BindingDB Entry DOI: 10.7270/Q2VX0K89
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50473760
PNG
(3,4'',5-Trismethoxybenzophenone | CHEMBL86124)
Show SMILES COc1ccc(cc1)C(=O)c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C16H16O4/c1-18-13-6-4-11(5-7-13)16(17)12-8-14(19-2)10-15(9-12)20-3/h4-10H,1-3H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



Arizona State University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization reported as IC50


J Med Chem 45: 2534-42 (2002)


Article DOI: 10.1021/jm010119y
BindingDB Entry DOI: 10.7270/Q20P12RK
More data for this
Ligand-Target Pair
Tubulin beta chain [1-43]


(Leishmania donovani)
BDBM50170572
PNG
((2-Amino-benzo[b]thiophen-3-yl)-(3,4,5-trimethoxy-...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)c1c(N)sc2ccccc12
Show InChI InChI=1S/C18H17NO4S/c1-21-12-8-10(9-13(22-2)17(12)23-3)16(20)15-11-6-4-5-7-14(11)24-18(15)19/h4-9H,19H2,1-3H3
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n/an/a 3.10E+3n/an/an/an/an/an/a



Universitá di Ferrara

Curated by ChEMBL


Assay Description
Concentration required to inhibit tubulin polymerization at 10 uM


Bioorg Med Chem Lett 15: 4048-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.022
BindingDB Entry DOI: 10.7270/Q2XP74GG
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50103821
PNG
(CHEMBL310038 | [2-(3-Hydroxy-4-methoxy-phenyl)-6-m...)
Show SMILES COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(sc2c1)-c1ccc(OC)c(O)c1
Show InChI InChI=1S/C26H24O7S/c1-29-16-7-8-17-22(13-16)34-26(14-6-9-19(30-2)18(27)10-14)23(17)24(28)15-11-20(31-3)25(33-5)21(12-15)32-4/h6-13,27H,1-5H3
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n/an/a 3.40E+3n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Inhibition of tubulin (10 uM) polymerization, after a 20 min incubation at 30 degrees Centigrade


J Med Chem 45: 2670-3 (2002)


Article DOI: 10.1021/jm020077t
BindingDB Entry DOI: 10.7270/Q2VX0K89
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50103821
PNG
(CHEMBL310038 | [2-(3-Hydroxy-4-methoxy-phenyl)-6-m...)
Show SMILES COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(sc2c1)-c1ccc(OC)c(O)c1
Show InChI InChI=1S/C26H24O7S/c1-29-16-7-8-17-22(13-16)34-26(14-6-9-19(30-2)18(27)10-14)23(17)24(28)15-11-20(31-3)25(33-5)21(12-15)32-4/h6-13,27H,1-5H3
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n/an/a 3.40E+3n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of tubulin polymerization


Bioorg Med Chem Lett 11: 2341-3 (2001)


BindingDB Entry DOI: 10.7270/Q2WH2P8G
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50156812
PNG
(PHENSTATIN)
Show SMILES COc1ccc(cc1O)C(=O)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C17H18O6/c1-20-13-6-5-10(7-12(13)18)16(19)11-8-14(21-2)17(23-4)15(9-11)22-3/h5-9,18H,1-4H3
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n/an/a 3.45E+3n/an/an/an/an/an/a



Arizona State University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization reported as IC50


J Med Chem 45: 2534-42 (2002)


Article DOI: 10.1021/jm010119y
BindingDB Entry DOI: 10.7270/Q20P12RK
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50103822
PNG
(2-Methoxy-5-[3-(3,4,5-trimethoxy-phenyl)-4,5-dihyd...)
Show SMILES COc1ccc(cc1O)C1=C(CCS1)c1cc(OC)c(OC)c(OC)c1 |t:10|
Show InChI InChI=1S/C20H22O5S/c1-22-16-6-5-12(9-15(16)21)20-14(7-8-26-20)13-10-17(23-2)19(25-4)18(11-13)24-3/h5-6,9-11,21H,7-8H2,1-4H3
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n/an/a 3.60E+3n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of tubulin polymerization


Bioorg Med Chem Lett 11: 2341-3 (2001)


BindingDB Entry DOI: 10.7270/Q2WH2P8G
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50473769
PNG
(CHEMBL327414)
Show SMILES COc1ccc2c(c([nH]c2c1)-c1ccc(OC)c(O)c1)-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C25H25NO6/c1-28-16-7-8-17-18(13-16)26-24(14-6-9-20(29-2)19(27)10-14)23(17)15-11-21(30-3)25(32-5)22(12-15)31-4/h6-13,26-27H,1-5H3
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n/an/a 4.10E+3n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Inhibition of tubulin (10 uM) polymerization, after a 20 min incubation at 30 degrees Centigrade


J Med Chem 45: 2670-3 (2002)


Article DOI: 10.1021/jm020077t
BindingDB Entry DOI: 10.7270/Q2VX0K89
More data for this
Ligand-Target Pair
Tubulin beta chain [1-43]


(Leishmania donovani)
BDBM50170571
PNG
((3-Amino-benzo[b]thiophen-2-yl)-(3,4,5-trimethoxy-...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)c1sc2ccccc2c1N
Show InChI InChI=1S/C18H17NO4S/c1-21-12-8-10(9-13(22-2)17(12)23-3)16(20)18-15(19)11-6-4-5-7-14(11)24-18/h4-9H,19H2,1-3H3
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n/an/a 4.20E+3n/an/an/an/an/an/a



Universitá di Ferrara

Curated by ChEMBL


Assay Description
Concentration required to inhibit tubulin polymerization at 10 uM


Bioorg Med Chem Lett 15: 4048-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.022
BindingDB Entry DOI: 10.7270/Q2XP74GG
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50103819
PNG
(5-{Hydroxy-[6-methoxy-2-(3,4,5-trimethoxy-phenyl)-...)
Show SMILES COc1ccc2c(C(O)c3ccc(OC)c(O)c3)c(sc2c1)-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C26H26O7S/c1-29-16-7-8-17-22(13-16)34-26(15-11-20(31-3)25(33-5)21(12-15)32-4)23(17)24(28)14-6-9-19(30-2)18(27)10-14/h6-13,24,27-28H,1-5H3
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n/an/a 6.10E+3n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of tubulin polymerization


Bioorg Med Chem Lett 11: 2341-3 (2001)


BindingDB Entry DOI: 10.7270/Q2WH2P8G
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50103824
PNG
(5-{Hydroxy-[2-(3,4,5-trimethoxy-phenyl)-thiophen-3...)
Show SMILES COc1ccc(cc1O)C(O)c1ccsc1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C21H22O6S/c1-24-16-6-5-12(9-15(16)22)19(23)14-7-8-28-21(14)13-10-17(25-2)20(27-4)18(11-13)26-3/h5-11,19,22-23H,1-4H3
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n/an/a 8.80E+3n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of tubulin polymerization


Bioorg Med Chem Lett 11: 2341-3 (2001)


BindingDB Entry DOI: 10.7270/Q2WH2P8G
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50473766
PNG
(CHEMBL90441)
Show SMILES COc1ccc2c(C(O)c3cc(OC)c(OC)c(OC)c3)c(oc2c1)-c1ccc(OC)c(O)c1
Show InChI InChI=1S/C26H26O8/c1-29-16-7-8-17-20(13-16)34-25(14-6-9-19(30-2)18(27)10-14)23(17)24(28)15-11-21(31-3)26(33-5)22(12-15)32-4/h6-13,24,27-28H,1-5H3
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n/an/a 8.80E+3n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Inhibition of tubulin (10 uM) polymerization, after a 20 min incubation at 30 degrees Centigrade


J Med Chem 45: 2670-3 (2002)


Article DOI: 10.1021/jm020077t
BindingDB Entry DOI: 10.7270/Q2VX0K89
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50473759
PNG
(CHEMBL87712)
Show SMILES COc1cc(OC)cc(\C=C/c2ccc(O)cc2)c1
Show InChI InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3-
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n/an/a 2.90E+4n/an/an/an/an/an/a



Arizona State University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization reported as IC50


J Med Chem 45: 2534-42 (2002)


Article DOI: 10.1021/jm010119y
BindingDB Entry DOI: 10.7270/Q20P12RK
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50473767
PNG
(CHEMBL327181)
Show SMILES COc1ccc(cc1)-c1oc2cc(OC)ccc2c1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C25H24O6/c1-26-17-8-6-15(7-9-17)24-23(19-11-10-18(27-2)14-20(19)31-24)16-12-21(28-3)25(30-5)22(13-16)29-4/h6-14H,1-5H3
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n/an/a>4.00E+4n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Inhibition of tubulin (10 uM) polymerization, after a 20 min incubation at 30 degrees Centigrade


J Med Chem 45: 2670-3 (2002)


Article DOI: 10.1021/jm020077t
BindingDB Entry DOI: 10.7270/Q2VX0K89
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50473765
PNG
(CHEMBL90926)
Show SMILES COc1ccc(cc1)-c1oc2cc(OC)ccc2c1C(O)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C26H26O7/c1-28-17-8-6-15(7-9-17)25-23(19-11-10-18(29-2)14-20(19)33-25)24(27)16-12-21(30-3)26(32-5)22(13-16)31-4/h6-14,24,27H,1-5H3
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n/an/a>4.00E+4n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Inhibition of tubulin (10 uM) polymerization, after a 20 min incubation at 30 degrees Centigrade


J Med Chem 45: 2670-3 (2002)


Article DOI: 10.1021/jm020077t
BindingDB Entry DOI: 10.7270/Q2VX0K89
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50103823
PNG
((6-methoxy-2-(4-methoxyphenyl)benzo[b]thiophen-3-y...)
Show SMILES COc1ccc(cc1)-c1sc2cc(OC)ccc2c1C(=O)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C26H24O6S/c1-28-17-8-6-15(7-9-17)26-23(19-11-10-18(29-2)14-22(19)33-26)24(27)16-12-20(30-3)25(32-5)21(13-16)31-4/h6-14H,1-5H3
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n/an/a>4.00E+4n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Inhibition of tubulin (10 uM) polymerization, after a 20 min incubation at 30 degrees Centigrade


J Med Chem 45: 2670-3 (2002)


Article DOI: 10.1021/jm020077t
BindingDB Entry DOI: 10.7270/Q2VX0K89
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50473761
PNG
(CHEMBL89039)
Show SMILES COc1ccc(cc1)-c1[nH]c2cc(OC)ccc2c1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C25H25NO5/c1-27-17-8-6-15(7-9-17)24-23(19-11-10-18(28-2)14-20(19)26-24)16-12-21(29-3)25(31-5)22(13-16)30-4/h6-14,26H,1-5H3
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n/an/a>4.00E+4n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Inhibition of tubulin (10 uM) polymerization, after a 20 min incubation at 30 degrees Centigrade


J Med Chem 45: 2670-3 (2002)


Article DOI: 10.1021/jm020077t
BindingDB Entry DOI: 10.7270/Q2VX0K89
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM23926
PNG
((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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n/an/a>4.00E+4n/an/an/an/an/an/a



Arizona State University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization reported as IC50


J Med Chem 45: 2534-42 (2002)


Article DOI: 10.1021/jm010119y
BindingDB Entry DOI: 10.7270/Q20P12RK
More data for this
Ligand-Target Pair
Tubulin beta chain [1-43]


(Leishmania donovani)
BDBM50170569
PNG
((2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophen-3-yl)...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)c1c(N)sc2CCCCc12
Show InChI InChI=1S/C18H21NO4S/c1-21-12-8-10(9-13(22-2)17(12)23-3)16(20)15-11-6-4-5-7-14(11)24-18(15)19/h8-9H,4-7,19H2,1-3H3
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n/an/a>4.00E+4n/an/an/an/an/an/a



Universitá di Ferrara

Curated by ChEMBL


Assay Description
Concentration required to inhibit tubulin polymerization at 10 uM


Bioorg Med Chem Lett 15: 4048-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.022
BindingDB Entry DOI: 10.7270/Q2XP74GG
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50103823
PNG
((6-methoxy-2-(4-methoxyphenyl)benzo[b]thiophen-3-y...)
Show SMILES COc1ccc(cc1)-c1sc2cc(OC)ccc2c1C(=O)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C26H24O6S/c1-28-17-8-6-15(7-9-17)26-23(19-11-10-18(29-2)14-22(19)33-26)24(27)16-12-20(30-3)25(32-5)21(13-16)31-4/h6-14H,1-5H3
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n/an/a>4.00E+4n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of tubulin polymerization


Bioorg Med Chem Lett 11: 2341-3 (2001)


BindingDB Entry DOI: 10.7270/Q2WH2P8G
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50103825
PNG
((3-Hydroxy-4-methoxy-phenyl)-[2-(3,4,5-trimethoxy-...)
Show SMILES COc1ccc(cc1O)C(=O)c1ccsc1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C21H20O6S/c1-24-16-6-5-12(9-15(16)22)19(23)14-7-8-28-21(14)13-10-17(25-2)20(27-4)18(11-13)26-3/h5-11,22H,1-4H3
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Australian National University

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of tubulin polymerization


Bioorg Med Chem Lett 11: 2341-3 (2001)


BindingDB Entry DOI: 10.7270/Q2WH2P8G
More data for this
Ligand-Target Pair