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Compile Data Set for Download or QSAR

Found 310 hits Enz. Inhib. hit(s) with Target = 'Tubulin beta chain'   
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


(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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180n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding constant at colchicine site of bovine brain tubulin


Bioorg Med Chem Lett 12: 465-9 (2002)


Article DOI: 10.1016/s0960-894x(01)00759-4
BindingDB Entry DOI: 10.7270/Q2PC32W7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin


(Bos taurus)
BDBM50109343
PNG
(1-Methyl-5-[(S)-5-(3,4,5-trimethoxy-phenyl)-4,5-di...)
Show SMILES COc1cc(cc(OC)c1OC)[C@H]1CN=C(O1)c1ccc2n(C)ccc2c1
Show InChI InChI=1S/C21H22N2O4/c1-23-8-7-13-9-14(5-6-16(13)23)21-22-12-19(27-21)15-10-17(24-2)20(26-4)18(11-15)25-3/h5-11,19H,12H2,1-4H3/t19-/m1/s1
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630n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding constant at colchicine site of bovine brain tubulin


Bioorg Med Chem Lett 12: 465-9 (2002)


Article DOI: 10.1016/s0960-894x(01)00759-4
BindingDB Entry DOI: 10.7270/Q2PC32W7
More data for this
Ligand-Target Pair
Tubulin


(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=1/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-/s2
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780n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding constant at colchicine site of bovine brain tubulin


Bioorg Med Chem Lett 12: 465-9 (2002)


Article DOI: 10.1016/s0960-894x(01)00759-4
BindingDB Entry DOI: 10.7270/Q2PC32W7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta chain


(Sus scrofa)
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
Show InChI InChI=1/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-/s2
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2.18E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against tubulin using [3H]colchicine as radioligand


J Med Chem 23: 546-9 (1980)


Article DOI: 10.1021/jm00179a014
BindingDB Entry DOI: 10.7270/Q2XK8HRZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin


(Bos taurus)
BDBM50109342
PNG
(1-Methyl-5-[(R)-5-(3,4,5-trimethoxy-phenyl)-4,5-di...)
Show SMILES COc1cc(cc(OC)c1OC)[C@@H]1CN=C(O1)c1ccc2n(C)ccc2c1
Show InChI InChI=1S/C21H22N2O4/c1-23-8-7-13-9-14(5-6-16(13)23)21-22-12-19(27-21)15-10-17(24-2)20(26-4)18(11-15)25-3/h5-11,19H,12H2,1-4H3/t19-/m0/s1
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3.69E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding constant at colchicine site of bovine brain tubulin


Bioorg Med Chem Lett 12: 465-9 (2002)


Article DOI: 10.1016/s0960-894x(01)00759-4
BindingDB Entry DOI: 10.7270/Q2PC32W7
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
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=1/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-/s2
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5.75E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against tubulin usingf [3H]-colchicine as radioligand


J Med Chem 23: 546-9 (1980)


Article DOI: 10.1021/jm00179a014
BindingDB Entry DOI: 10.7270/Q2XK8HRZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin


(Bos taurus)
BDBM50159524
PNG
(CHEMBL20705 | N-(5-Chloro-1H-indol-7-yl)-4-methoxy...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cc(Cl)cc2cc[nH]c12
Show InChI InChI=1S/C15H13ClN2O3S/c1-21-12-2-4-13(5-3-12)22(19,20)18-14-9-11(16)8-10-6-7-17-15(10)14/h2-9,17-18H,1H3
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7.00E+3n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity against tubulin from goat brain relative to colchicine


J Med Chem 48: 547-55 (2005)


Article DOI: 10.1021/jm0494974
BindingDB Entry DOI: 10.7270/Q2M32V7G
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50146019
PNG
(STEGANACIN | steganacin)
Show SMILES COc1cc2C[C@H]3C(COC3=O)[C@H](OC(C)=O)c3cc4OCOc4cc3-c2c(OC)c1OC
Show InChI InChI=1S/C24H24O9/c1-11(25)33-21-14-8-18-17(31-10-32-18)7-13(14)20-12(5-15-16(21)9-30-24(15)26)6-19(27-2)22(28-3)23(20)29-4/h6-8,15-16,21H,5,9-10H2,1-4H3/t15-,16?,21+/m0/s1
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1.05E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against tubulin using [3H]colchicine as radioligand


J Med Chem 23: 546-9 (1980)


Article DOI: 10.1021/jm00179a014
BindingDB Entry DOI: 10.7270/Q2XK8HRZ
More data for this
Ligand-Target Pair
Tubulin


(Bos taurus)
BDBM50120462
PNG
(CHEMBL20289 | N-(3-Chloro-1H-indol-7-yl)-4-methoxy...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12
Show InChI InChI=1S/C15H13ClN2O3S/c1-21-10-5-7-11(8-6-10)22(19,20)18-14-4-2-3-12-13(16)9-17-15(12)14/h2-9,17-18H,1H3
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1.40E+4n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity against tubulin from goat brain relative to colchicine


J Med Chem 48: 547-55 (2005)


Article DOI: 10.1021/jm0494974
BindingDB Entry DOI: 10.7270/Q2M32V7G
More data for this
Ligand-Target Pair
Tubulin


(Bos taurus)
BDBM50159526
PNG
(CHEMBL280959 | N-(1H-Indol-7-yl)-4-methoxy-benzene...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cccc2cc[nH]c12
Show InChI InChI=1S/C15H14N2O3S/c1-20-12-5-7-13(8-6-12)21(18,19)17-14-4-2-3-11-9-10-16-15(11)14/h2-10,16-17H,1H3
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1.40E+4n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity against tubulin from goat brain relative to colchicine


J Med Chem 48: 547-55 (2005)


Article DOI: 10.1021/jm0494974
BindingDB Entry DOI: 10.7270/Q2M32V7G
More data for this
Ligand-Target Pair
Tubulin


(Bos taurus)
BDBM50159525
PNG
(CHEMBL20827 | N-(4-Chloro-1H-indol-7-yl)-4-methoxy...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c2cc[nH]c12
Show InChI InChI=1S/C15H13ClN2O3S/c1-21-10-2-4-11(5-3-10)22(19,20)18-14-7-6-13(16)12-8-9-17-15(12)14/h2-9,17-18H,1H3
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1.40E+4n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity against tubulin from goat brain relative to colchicine


J Med Chem 48: 547-55 (2005)


Article DOI: 10.1021/jm0494974
BindingDB Entry DOI: 10.7270/Q2M32V7G
More data for this
Ligand-Target Pair
Tubulin


(Bos taurus)
BDBM50120465
PNG
(CHEMBL281995 | N-(2-Chloro-1H-indol-7-yl)-4-methox...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cccc2cc(Cl)[nH]c12
Show InChI InChI=1S/C15H13ClN2O3S/c1-21-11-5-7-12(8-6-11)22(19,20)18-13-4-2-3-10-9-14(16)17-15(10)13/h2-9,17-18H,1H3
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2.80E+4n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity against tubulin from goat brain relative to colchicine


J Med Chem 48: 547-55 (2005)


Article DOI: 10.1021/jm0494974
BindingDB Entry DOI: 10.7270/Q2M32V7G
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50146021
PNG
(CHEMBL152714)
Show SMILES COc1cc2C[C@@H]3[C@@H](COC3=O)Cc3cc4OCOc4cc3-c2c(OC)c1OC
Show InChI InChI=1S/C22H22O7/c1-24-18-7-12-5-15-13(9-27-22(15)23)4-11-6-16-17(29-10-28-16)8-14(11)19(12)21(26-3)20(18)25-2/h6-8,13,15H,4-5,9-10H2,1-3H3/t13-,15-/m1/s1
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3.20E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against tubulin using [3H]colchicine as radioligand


J Med Chem 23: 546-9 (1980)


Article DOI: 10.1021/jm00179a014
BindingDB Entry DOI: 10.7270/Q2XK8HRZ
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50146017
PNG
(CHEMBL152476)
Show SMILES COc1cc2C[C@H]3[C@@H](COC3=O)Cc3cc4OCOc4cc3-c2c(OC)c1OC
Show InChI InChI=1S/C22H22O7/c1-24-18-7-12-5-15-13(9-27-22(15)23)4-11-6-16-17(29-10-28-16)8-14(11)19(12)21(26-3)20(18)25-2/h6-8,13,15H,4-5,9-10H2,1-3H3/t13-,15+/m1/s1
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1.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against tubulin using [3H]colchicine as radioligand


J Med Chem 23: 546-9 (1980)


Article DOI: 10.1021/jm00179a014
BindingDB Entry DOI: 10.7270/Q2XK8HRZ
More data for this
Ligand-Target Pair
Tubulin


(Bos taurus)
BDBM50012278
PNG
((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)
Show SMILES CC[C@]1(O)C[C@@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC
Show InChI InChI=1/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/s2
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>1.00E+5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding constant at colchicine site of bovine brain tubulin


Bioorg Med Chem Lett 12: 465-9 (2002)


Article DOI: 10.1016/s0960-894x(01)00759-4
BindingDB Entry DOI: 10.7270/Q2PC32W7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta chain


(Sus scrofa)
BDBM50146018
PNG
(CHEMBL3349041)
Show SMILES COc1cc2C[C@H]3[C@@H](COC3=O)C(=O)c3cc4OCOc4cc3-c2c(OC)c1OC
Show InChI InChI=1S/C22H20O8/c1-25-17-5-10-4-13-14(8-28-22(13)24)19(23)12-7-16-15(29-9-30-16)6-11(12)18(10)21(27-3)20(17)26-2/h5-7,13-14H,4,8-9H2,1-3H3/t13-,14+/m0/s1
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1.78E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against tubulin using [3H]colchicine as radioligand


J Med Chem 23: 546-9 (1980)


Article DOI: 10.1021/jm00179a014
BindingDB Entry DOI: 10.7270/Q2XK8HRZ
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50146022
PNG
(CHEMBL346865)
Show SMILES COc1cc(CC2CCOC2=O)c(c(OC)c1OC)-c1cc2OCOc2cc1CO
Show InChI InChI=1/C22H24O8/c1-25-18-7-13(6-12-4-5-28-22(12)24)19(21(27-3)20(18)26-2)15-9-17-16(29-11-30-17)8-14(15)10-23/h7-9,12,23H,4-6,10-11H2,1-3H3
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1.85E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against tubulin using [3H]colchicine as radioligand


J Med Chem 23: 546-9 (1980)


Article DOI: 10.1021/jm00179a014
BindingDB Entry DOI: 10.7270/Q2XK8HRZ
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50146018
PNG
(CHEMBL3349041)
Show SMILES COc1cc2C[C@H]3[C@@H](COC3=O)C(=O)c3cc4OCOc4cc3-c2c(OC)c1OC
Show InChI InChI=1S/C22H20O8/c1-25-17-5-10-4-13-14(8-28-22(13)24)19(23)12-7-16-15(29-9-30-16)6-11(12)18(10)21(27-3)20(17)26-2/h5-7,13-14H,4,8-9H2,1-3H3/t13-,14+/m0/s1
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1.85E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against tubulin usingf [3H]-colchicine as radioligand


J Med Chem 23: 546-9 (1980)


Article DOI: 10.1021/jm00179a014
BindingDB Entry DOI: 10.7270/Q2XK8HRZ
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50146016
PNG
(CHEMBL149525)
Show SMILES COc1cc(cc(OC)c1OC)[C@H]1[C@@H]2C(COC2=O)Cc2cc3OCOc3cc12
Show InChI InChI=1S/C22H22O7/c1-24-17-6-12(7-18(25-2)21(17)26-3)19-14-8-16-15(28-10-29-16)5-11(14)4-13-9-27-22(23)20(13)19/h5-8,13,19-20H,4,9-10H2,1-3H3/t13?,19-,20+/m1/s1
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2.01E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against tubulin using [3H]colchicine as radioligand


J Med Chem 23: 546-9 (1980)


Article DOI: 10.1021/jm00179a014
BindingDB Entry DOI: 10.7270/Q2XK8HRZ
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50012278
PNG
((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)
Show SMILES CC[C@]1(O)C[C@@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC
Show InChI InChI=1/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/s2
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n/an/a 1.10n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of porcine brain tubulin polymerization assessed as microtubule assembly after 15 mins by DAPI staining


Eur J Med Chem 101: 627-39 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.029
BindingDB Entry DOI: 10.7270/Q2QF8VPZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin


(Bos taurus)
BDBM50107672
PNG
((3-Fluoro-phenyl)-(5-methoxy-1H-indol-2-yl)-methan...)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)c1cccc(F)c1
Show InChI InChI=1S/C16H12FNO2/c1-20-13-5-6-14-11(8-13)9-15(18-14)16(19)10-3-2-4-12(17)7-10/h2-9,18H,1H3
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n/an/a 390n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization.


J Med Chem 44: 4535-53 (2001)


Article DOI: 10.1021/jm010940+
BindingDB Entry DOI: 10.7270/Q2BZ65CN
More data for this
Ligand-Target Pair
Tubulin


(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
Show InChI InChI=1/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-/s2
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n/an/a 460n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


Article DOI: 10.1021/jm00034a010
BindingDB Entry DOI: 10.7270/Q2ZC81XN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin


(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
Show InChI InChI=1/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-/s2
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n/an/a 460n/an/an/an/an/an/a



University of North Carolina at Chapel Hill 27599

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin polymerization


J Med Chem 40: 2266-75 (1997)


Article DOI: 10.1021/jm960858s
BindingDB Entry DOI: 10.7270/Q26M35ZF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin


(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 530n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


Article DOI: 10.1021/jm00034a010
BindingDB Entry DOI: 10.7270/Q2ZC81XN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin


(Bos taurus)
BDBM50107658
PNG
((5-Methoxy-1H-indol-2-yl)-phenyl-methanone | (5-me...)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)c1ccccc1
Show InChI InChI=1S/C16H13NO2/c1-19-13-7-8-14-12(9-13)10-15(17-14)16(18)11-5-3-2-4-6-11/h2-10,17H,1H3
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n/an/a 530n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization.


J Med Chem 44: 4535-53 (2001)


Article DOI: 10.1021/jm010940+
BindingDB Entry DOI: 10.7270/Q2BZ65CN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin


(Bos taurus)
BDBM50107678
PNG
((5-Methoxy-1H-indol-2-yl)-(3-methoxy-phenyl)-metha...)
Show SMILES COc1cccc(c1)C(=O)c1cc2cc(OC)ccc2[nH]1
Show InChI InChI=1S/C17H15NO3/c1-20-13-5-3-4-11(8-13)17(19)16-10-12-9-14(21-2)6-7-15(12)18-16/h3-10,18H,1-2H3
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n/an/a 530n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization.


J Med Chem 44: 4535-53 (2001)


Article DOI: 10.1021/jm010940+
BindingDB Entry DOI: 10.7270/Q2BZ65CN
More data for this
Ligand-Target Pair
Tubulin


(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 530n/an/an/an/an/an/a



University of North Carolina at Chapel Hill 27599

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin polymerization


J Med Chem 40: 2266-75 (1997)


Article DOI: 10.1021/jm960858s
BindingDB Entry DOI: 10.7270/Q26M35ZF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin


(Bos taurus)
BDBM50037444
PNG
(6-(3-Methoxy-phenyl)-5H-[1,3]dioxolo[4,5-g]quinoli...)
Show SMILES COc1cccc(c1)-c1cc(O)c2cc3OCOc3cc2n1
Show InChI InChI=1S/C17H13NO4/c1-20-11-4-2-3-10(5-11)13-7-15(19)12-6-16-17(22-9-21-16)8-14(12)18-13/h2-8H,9H2,1H3,(H,18,19)
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n/an/a 570n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


Article DOI: 10.1021/jm00034a010
BindingDB Entry DOI: 10.7270/Q2ZC81XN
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50012278
PNG
((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)
Show SMILES CC[C@]1(O)C[C@@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC
Show InChI InChI=1/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/s2
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n/an/a 600n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Concentration of compound required to inhibit tubulin polymerization (Microtubule assembly) was determined by the turbidity formation after 20 min of...


Bioorg Med Chem Lett 12: 3191-3 (2002)


Article DOI: 10.1016/s0960-894x(02)00568-1
BindingDB Entry DOI: 10.7270/Q2V40XCV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin


(Bos taurus)
BDBM50041130
PNG
(6-Methoxy-2-phenyl-1H-quinolin-4-one | CHEMBL14120...)
Show SMILES COc1ccc2nc(cc(O)c2c1)-c1ccccc1
Show InChI InChI=1S/C16H13NO2/c1-19-12-7-8-14-13(9-12)16(18)10-15(17-14)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)
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n/an/a 610n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


Article DOI: 10.1021/jm00034a010
BindingDB Entry DOI: 10.7270/Q2ZC81XN
More data for this
Ligand-Target Pair
Tubulin


(Bos taurus)
BDBM50041123
PNG
(6-(3,5-Dimethoxy-phenyl)-5H-[1,3]dioxolo[4,5-g]qui...)
Show SMILES COc1cc(OC)cc(c1)-c1cc(O)c2cc3OCOc3cc2n1
Show InChI InChI=1S/C18H15NO5/c1-21-11-3-10(4-12(5-11)22-2)14-7-16(20)13-6-17-18(24-9-23-17)8-15(13)19-14/h3-8H,9H2,1-2H3,(H,19,20)
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n/an/a 620n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


Article DOI: 10.1021/jm00034a010
BindingDB Entry DOI: 10.7270/Q2ZC81XN
More data for this
Ligand-Target Pair
Tubulin


(Bos taurus)
BDBM50059123
PNG
(2-(3-Methoxy-phenyl)-5-methyl-1H-[1,8]naphthyridin...)
Show SMILES COc1cccc(c1)-c1cc(O)c2c(C)ccnc2n1
Show InChI InChI=1S/C16H14N2O2/c1-10-6-7-17-16-15(10)14(19)9-13(18-16)11-4-3-5-12(8-11)20-2/h3-9H,1-2H3,(H,17,18,19)
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n/an/a 620n/an/an/an/an/an/a



University of North Carolina at Chapel Hill 27599

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin polymerization


J Med Chem 40: 2266-75 (1997)


Article DOI: 10.1021/jm960858s
BindingDB Entry DOI: 10.7270/Q26M35ZF
More data for this
Ligand-Target Pair
Tubulin


(Bos taurus)
BDBM50005478
PNG
(2-Methoxy-5-[2-(3,4,5-trimethoxy-phenyl)-ethyl]-ph...)
Show SMILES COc1ccc(CCc2cc(OC)c(OC)c(OC)c2)cc1O
Show InChI InChI=1S/C18H22O5/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/h7-11,19H,5-6H2,1-4H3
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n/an/a 630n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


Article DOI: 10.1021/jm00034a010
BindingDB Entry DOI: 10.7270/Q2ZC81XN
More data for this
Ligand-Target Pair
Tubulin


(Bos taurus)
BDBM50037464
PNG
(6-Phenyl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one | CH...)
Show SMILES Oc1cc(nc2cc3OCOc3cc12)-c1ccccc1
Show InChI InChI=1S/C16H11NO3/c18-14-7-12(10-4-2-1-3-5-10)17-13-8-16-15(6-11(13)14)19-9-20-16/h1-8H,9H2,(H,17,18)
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n/an/a 630n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


Article DOI: 10.1021/jm00034a010
BindingDB Entry DOI: 10.7270/Q2ZC81XN
More data for this
Ligand-Target Pair
Tubulin


(Bos taurus)
BDBM50107677
PNG
((3-Hydroxy-phenyl)-(5-methoxy-1H-indol-2-yl)-metha...)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C16H13NO3/c1-20-13-5-6-14-11(8-13)9-15(17-14)16(19)10-3-2-4-12(18)7-10/h2-9,17-18H,1H3
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n/an/a 660n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization.


J Med Chem 44: 4535-53 (2001)


Article DOI: 10.1021/jm010940+
BindingDB Entry DOI: 10.7270/Q2BZ65CN
More data for this
Ligand-Target Pair
Tubulin


(Bos taurus)
BDBM50111568
PNG
(2-Methoxy-5-[5-(3,4,5-trimethoxy-phenyl)-3H-imidaz...)
Show SMILES COc1ccc(cc1N)-c1nc[nH]c1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C19H21N3O4/c1-23-14-6-5-11(7-13(14)20)17-18(22-10-21-17)12-8-15(24-2)19(26-4)16(9-12)25-3/h5-10H,20H2,1-4H3,(H,21,22)
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n/an/a 680n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration needed to inhibit tubulin polymerization by 50%


J Med Chem 45: 1697-711 (2002)


Article DOI: 10.1021/jm010523x
BindingDB Entry DOI: 10.7270/Q2QJ7GKQ
More data for this
Ligand-Target Pair
Tubulin


(Bos taurus)
BDBM50037452
PNG
(6-(3-Dimethylamino-phenyl)-5H-[1,3]dioxolo[4,5-g]q...)
Show SMILES CN(C)c1cccc(c1)-c1cc(O)c2cc3OCOc3cc2n1
Show InChI InChI=1S/C18H16N2O3/c1-20(2)12-5-3-4-11(6-12)14-8-16(21)13-7-17-18(23-10-22-17)9-15(13)19-14/h3-9H,10H2,1-2H3,(H,19,21)
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n/an/a 700n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


Article DOI: 10.1021/jm00034a010
BindingDB Entry DOI: 10.7270/Q2ZC81XN
More data for this
Ligand-Target Pair
Tubulin


(Bos taurus)
BDBM50111579
PNG
(2-Methoxy-5-[5-(3,4,5-trimethoxy-phenyl)-3H-imidaz...)
Show SMILES COc1ccc(cc1O)-c1nc[nH]c1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C19H20N2O5/c1-23-14-6-5-11(7-13(14)22)17-18(21-10-20-17)12-8-15(24-2)19(26-4)16(9-12)25-3/h5-10,22H,1-4H3,(H,20,21)
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n/an/a 730n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration needed to inhibit tubulin polymerization by 50%


J Med Chem 45: 1697-711 (2002)


Article DOI: 10.1021/jm010523x
BindingDB Entry DOI: 10.7270/Q2QJ7GKQ
More data for this
Ligand-Target Pair
Tubulin


(Bos taurus)
BDBM50059100
PNG
(6-Chloro-2-(3-methoxy-phenyl)-1H-[1,8]naphthyridin...)
Show SMILES COc1cccc(c1)-c1cc(O)c2cc(Cl)cnc2n1
Show InChI InChI=1S/C15H11ClN2O2/c1-20-11-4-2-3-9(5-11)13-7-14(19)12-6-10(16)8-17-15(12)18-13/h2-8H,1H3,(H,17,18,19)
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n/an/a 730n/an/an/an/an/an/a



University of North Carolina at Chapel Hill 27599

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin polymerization


J Med Chem 40: 2266-75 (1997)


Article DOI: 10.1021/jm960858s
BindingDB Entry DOI: 10.7270/Q26M35ZF
More data for this
Ligand-Target Pair
Tubulin


(Bos taurus)
BDBM50041100
PNG
(6-Methoxy-2-(3-methoxy-phenyl)-1H-quinolin-4-one |...)
Show SMILES COc1cccc(c1)-c1cc(O)c2cc(OC)ccc2n1
Show InChI InChI=1S/C17H15NO3/c1-20-12-5-3-4-11(8-12)16-10-17(19)14-9-13(21-2)6-7-15(14)18-16/h3-10H,1-2H3,(H,18,19)
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n/an/a 740n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


Article DOI: 10.1021/jm00034a010
BindingDB Entry DOI: 10.7270/Q2ZC81XN
More data for this
Ligand-Target Pair
Tubulin


(Bos taurus)
BDBM50059117
PNG
(2-(3-Methoxy-phenyl)-7-methyl-1H-[1,8]naphthyridin...)
Show SMILES COc1cccc(c1)-c1cc(O)c2ccc(C)nc2n1
Show InChI InChI=1S/C16H14N2O2/c1-10-6-7-13-15(19)9-14(18-16(13)17-10)11-4-3-5-12(8-11)20-2/h3-9H,1-2H3,(H,17,18,19)
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n/an/a 750n/an/an/an/an/an/a



University of North Carolina at Chapel Hill 27599

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin polymerization


J Med Chem 40: 2266-75 (1997)


Article DOI: 10.1021/jm960858s
BindingDB Entry DOI: 10.7270/Q26M35ZF
More data for this
Ligand-Target Pair
Tubulin


(Bos taurus)
BDBM50111574
PNG
(1-Methyl-5-[4-(3,4,5-trimethoxy-phenyl)-oxazol-5-y...)
Show SMILES COc1cc(cc(OC)c1OC)-c1ncoc1-c1ccc2n(C)ccc2c1
Show InChI InChI=1S/C21H20N2O4/c1-23-8-7-13-9-14(5-6-16(13)23)20-19(22-12-27-20)15-10-17(24-2)21(26-4)18(11-15)25-3/h5-12H,1-4H3
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n/an/a 790n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration needed to inhibit tubulin polymerization by 50%


J Med Chem 45: 1697-711 (2002)


Article DOI: 10.1021/jm010523x
BindingDB Entry DOI: 10.7270/Q2QJ7GKQ
More data for this
Ligand-Target Pair
Tubulin


(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=1/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-/s2
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n/an/a 800n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


Article DOI: 10.1021/jm00034a010
BindingDB Entry DOI: 10.7270/Q2ZC81XN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin


(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=1/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-/s2
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n/an/a 800n/an/an/an/an/an/a



University of North Carolina at Chapel Hill 27599

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin polymerization


J Med Chem 40: 2266-75 (1997)


Article DOI: 10.1021/jm960858s
BindingDB Entry DOI: 10.7270/Q26M35ZF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin


(Bos taurus)
BDBM50059111
PNG
(2-(3-Methoxy-phenyl)-6-methyl-1H-[1,8]naphthyridin...)
Show SMILES COc1cccc(c1)-c1cc(O)c2cc(C)cnc2n1
Show InChI InChI=1S/C16H14N2O2/c1-10-6-13-15(19)8-14(18-16(13)17-9-10)11-4-3-5-12(7-11)20-2/h3-9H,1-2H3,(H,17,18,19)
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n/an/a 800n/an/an/an/an/an/a



University of North Carolina at Chapel Hill 27599

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin polymerization


J Med Chem 40: 2266-75 (1997)


Article DOI: 10.1021/jm960858s
BindingDB Entry DOI: 10.7270/Q26M35ZF
More data for this
Ligand-Target Pair
Tubulin


(Bos taurus)
BDBM50107676
PNG
((3,4-Dimethoxy-phenyl)-(5-methoxy-1H-indol-2-yl)-m...)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C18H17NO4/c1-21-13-5-6-14-12(8-13)9-15(19-14)18(20)11-4-7-16(22-2)17(10-11)23-3/h4-10,19H,1-3H3
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n/an/a 810n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization.


J Med Chem 44: 4535-53 (2001)


Article DOI: 10.1021/jm010940+
BindingDB Entry DOI: 10.7270/Q2BZ65CN
More data for this
Ligand-Target Pair
Tubulin


(Bos taurus)
BDBM50107656
PNG
((3,5-Dimethoxy-phenyl)-(5-methoxy-1H-indol-2-yl)-m...)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C18H17NO4/c1-21-13-4-5-16-11(6-13)9-17(19-16)18(20)12-7-14(22-2)10-15(8-12)23-3/h4-10,19H,1-3H3
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n/an/a 810n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization.


J Med Chem 44: 4535-53 (2001)


Article DOI: 10.1021/jm010940+
BindingDB Entry DOI: 10.7270/Q2BZ65CN
More data for this
Ligand-Target Pair
Tubulin


(Bos taurus)
BDBM50041121
PNG
(2-(3-Dimethylamino-phenyl)-6-methoxy-1H-quinolin-4...)
Show SMILES COc1ccc2nc(cc(O)c2c1)-c1cccc(c1)N(C)C
Show InChI InChI=1S/C18H18N2O2/c1-20(2)13-6-4-5-12(9-13)17-11-18(21)15-10-14(22-3)7-8-16(15)19-17/h4-11H,1-3H3,(H,19,21)
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n/an/a 840n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


Article DOI: 10.1021/jm00034a010
BindingDB Entry DOI: 10.7270/Q2ZC81XN
More data for this
Ligand-Target Pair
Tubulin


(Bos taurus)
BDBM50107674
PNG
(Butyric acid 3-(5-methoxy-1H-indole-2-carbonyl)-ph...)
Show SMILES CCCC(=O)Oc1cccc(c1)C(=O)c1cc2cc(OC)ccc2[nH]1
Show InChI InChI=1S/C20H19NO4/c1-3-5-19(22)25-16-7-4-6-13(10-16)20(23)18-12-14-11-15(24-2)8-9-17(14)21-18/h4,6-12,21H,3,5H2,1-2H3
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n/an/a 850n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization.


J Med Chem 44: 4535-53 (2001)


Article DOI: 10.1021/jm010940+
BindingDB Entry DOI: 10.7270/Q2BZ65CN
More data for this
Ligand-Target Pair
Tubulin


(Bos taurus)
BDBM50041119
PNG
(2-(2-fluorophenyl)-6,7-methylenedioxyquinolin-4-on...)
Show SMILES Oc1cc(nc2cc3OCOc3cc12)-c1ccccc1F
Show InChI InChI=1S/C16H10FNO3/c17-11-4-2-1-3-9(11)12-6-14(19)10-5-15-16(21-8-20-15)7-13(10)18-12/h1-7H,8H2,(H,18,19)
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n/an/a 850n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


Article DOI: 10.1021/jm00034a010
BindingDB Entry DOI: 10.7270/Q2ZC81XN
More data for this
Ligand-Target Pair
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