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Compile Data Set for Download or QSAR

Found 461 hits of ic50 data for polymerid = 50006718   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tubulin beta chain


(Sus scrofa)
BDBM50500878
PNG
(CHEMBL3799906)
Show SMILES COc1cc2CC[C@@H](c3cc(=O)c(OC)ccc3-c2c(OC)c1OC)n1cc(CCC(=O)OCc2ccc(F)cc2)nn1 |r|
Show InChI InChI=1S/C32H32FN3O7/c1-39-27-13-11-23-24(16-26(27)37)25(12-7-20-15-28(40-2)31(41-3)32(42-4)30(20)23)36-17-22(34-35-36)10-14-29(38)43-18-19-5-8-21(33)9-6-19/h5-6,8-9,11,13,15-17,25H,7,10,12,14,18H2,1-4H3/t25-/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



University of Cologne

Curated by ChEMBL


Assay Description
Inhibition of porcine brain tubulin polymerization measured every 1 min for 60 mins by microplate reader analysis


ACS Med Chem Lett 7: 188-91 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00418
BindingDB Entry DOI: 10.7270/Q2D221NQ
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50500880
PNG
(CHEMBL3799435)
Show SMILES COc1cc2CC[C@@H](c3cc(=O)c(OC)ccc3-c2c(OC)c1OC)n1cc(COC(=O)CCNC(=O)OC(C)(C)C)nn1 |r|
Show InChI InChI=1S/C31H38N4O9/c1-31(2,3)44-30(38)32-13-12-26(37)43-17-19-16-35(34-33-19)22-10-8-18-14-25(40-5)28(41-6)29(42-7)27(18)20-9-11-24(39-4)23(36)15-21(20)22/h9,11,14-16,22H,8,10,12-13,17H2,1-7H3,(H,32,38)/t22-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



University of Cologne

Curated by ChEMBL


Assay Description
Inhibition of porcine brain tubulin polymerization measured every 1 min for 60 mins by microplate reader analysis


ACS Med Chem Lett 7: 188-91 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00418
BindingDB Entry DOI: 10.7270/Q2D221NQ
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50500879
PNG
(CHEMBL3800118)
Show SMILES COc1cc2CC[C@@H](c3cc(=O)c(OC)ccc3-c2c(OC)c1OC)n1cc(COC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)nn1 |r|
Show InChI InChI=1S/C37H42N4O9/c1-37(2,3)50-36(44)38-27(17-22-11-9-8-10-12-22)35(43)49-21-24-20-41(40-39-24)28-15-13-23-18-31(46-5)33(47-6)34(48-7)32(23)25-14-16-30(45-4)29(42)19-26(25)28/h8-12,14,16,18-20,27-28H,13,15,17,21H2,1-7H3,(H,38,44)/t27-,28-/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



University of Cologne

Curated by ChEMBL


Assay Description
Inhibition of porcine brain tubulin polymerization measured every 1 min for 60 mins by microplate reader analysis


ACS Med Chem Lett 7: 188-91 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00418
BindingDB Entry DOI: 10.7270/Q2D221NQ
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 |r|
Show InChI InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1
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n/an/a 6.70n/an/an/an/an/an/a



University of Cologne

Curated by ChEMBL


Assay Description
Inhibition of porcine brain tubulin polymerization measured every 1 min for 60 mins by microplate reader analysis


ACS Med Chem Lett 7: 188-91 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00418
BindingDB Entry DOI: 10.7270/Q2D221NQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 |r|
Show InChI InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1
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n/an/a 10n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 |r,c:48|
Show InChI InChI=1S/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-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry analysis


Bioorg Med Chem 19: 4183-91 (2011)


Article DOI: 10.1016/j.bmc.2011.06.010
BindingDB Entry DOI: 10.7270/Q2222XKG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 |r,c:48|
Show InChI InChI=1S/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-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetric assay


J Med Chem 52: 1284-94 (2009)


Article DOI: 10.1021/jm801338r
BindingDB Entry DOI: 10.7270/Q2VD7274
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 |r,c:48|
Show InChI InChI=1S/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-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
Inhibition of pig tubulin polymerization determined after 45 mins at 37 degC by turbidimetric analysis


J Med Chem 54: 4247-63 (2011)


Article DOI: 10.1021/jm200436t
BindingDB Entry DOI: 10.7270/Q2BK1G7W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 |r,c:48|
Show InChI InChI=1S/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-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry


Eur J Med Chem 45: 3420-38 (2010)


Article DOI: 10.1016/j.ejmech.2010.04.032
BindingDB Entry DOI: 10.7270/Q2W95D13
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 |r,c:48|
Show InChI InChI=1S/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-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
In vitro inhibition of maximum porcine tubulin assembly rate after 20 min at 37 degrees C


J Med Chem 46: 3382-94 (2003)


Article DOI: 10.1021/jm0307685
BindingDB Entry DOI: 10.7270/Q2VT1VVK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 |r,c:48|
Show InChI InChI=1S/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-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization in porcine brain


J Med Chem 49: 7816-25 (2006)


Article DOI: 10.1021/jm0605031
BindingDB Entry DOI: 10.7270/Q28918ND
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 |r,c:48|
Show InChI InChI=1S/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-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



CancerCare Manitoba

Curated by ChEMBL


Assay Description
Inhibition of porcine brain tubulin polymerization


J Med Chem 50: 6059-66 (2007)


Article DOI: 10.1021/jm0708984
BindingDB Entry DOI: 10.7270/Q20C4ZJP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta chain


(Sus scrofa)
BDBM50500399
PNG
(CHEMBL3746906)
Show SMILES COCC(C)n1cc(C(=O)C(=O)Nc2ccc(OC)nc2)c2ccccc12
Show InChI InChI=1S/C20H21N3O4/c1-13(12-26-2)23-11-16(15-6-4-5-7-17(15)23)19(24)20(25)22-14-8-9-18(27-3)21-10-14/h4-11,13H,12H2,1-3H3,(H,22,25)
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n/an/a 160n/an/an/an/an/an/a



University of Sheffield

Curated by ChEMBL


Assay Description
Displacement of [3H]-colchicine from biotinylated porcine tubulin after 2 hrs by competitive binding assay


J Med Chem 58: 9309-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01312
BindingDB Entry DOI: 10.7270/Q2Z60S2S
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50474288
PNG
(CHEMBL112192)
Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]-2\c3ccccc3-[#6](=O)-c3ccccc-23)c(-[#8]-[#6])c1-[#8]
Show InChI InChI=1S/C23H18O4/c1-26-20-12-11-14(23(27-2)22(20)25)13-19-15-7-3-5-9-17(15)21(24)18-10-6-4-8-16(18)19/h3-13,25H,1-2H3
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n/an/a 220n/an/an/an/an/an/a



Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration required to displace [3H]colchicine from its binding site on tubulin


J Med Chem 46: 3382-94 (2003)


Article DOI: 10.1021/jm0307685
BindingDB Entry DOI: 10.7270/Q2VT1VVK
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50477242
PNG
(CHEMBL240468)
Show SMILES CNc1ccc(cc1)S(=O)(=O)Oc1c2ccsc2cc2ccccc12
Show InChI InChI=1S/C19H15NO3S2/c1-20-14-6-8-15(9-7-14)25(21,22)23-19-16-5-3-2-4-13(16)12-18-17(19)10-11-24-18/h2-12,20H,1H3
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n/an/a 290n/an/an/an/an/an/a



CancerCare Manitoba

Curated by ChEMBL


Assay Description
Inhibition of porcine brain tubulin polymerization


J Med Chem 50: 6059-66 (2007)


Article DOI: 10.1021/jm0708984
BindingDB Entry DOI: 10.7270/Q20C4ZJP
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50477251
PNG
(CHEMBL429265)
Show SMILES COc1cccc(c1)S(=O)(=O)Oc1c2ccsc2cc2ccccc12
Show InChI InChI=1S/C19H14O4S2/c1-22-14-6-4-7-15(12-14)25(20,21)23-19-16-8-3-2-5-13(16)11-18-17(19)9-10-24-18/h2-12H,1H3
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n/an/a 290n/an/an/an/an/an/a



CancerCare Manitoba

Curated by ChEMBL


Assay Description
Inhibition of porcine brain tubulin polymerization


J Med Chem 50: 6059-66 (2007)


Article DOI: 10.1021/jm0708984
BindingDB Entry DOI: 10.7270/Q20C4ZJP
More data for this
Ligand-Target Pair
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 |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 350n/an/an/an/an/an/a



Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry analysis


Bioorg Med Chem 19: 4183-91 (2011)


Article DOI: 10.1016/j.bmc.2011.06.010
BindingDB Entry DOI: 10.7270/Q2222XKG
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 |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 350n/an/an/an/an/an/a



Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
Inhibition of pig tubulin polymerization determined after 45 mins at 37 degC by turbidimetric analysis


J Med Chem 54: 4247-63 (2011)


Article DOI: 10.1021/jm200436t
BindingDB Entry DOI: 10.7270/Q2BK1G7W
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 |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 350n/an/an/an/an/an/a



Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization in porcine brain


J Med Chem 49: 7816-25 (2006)


Article DOI: 10.1021/jm0605031
BindingDB Entry DOI: 10.7270/Q28918ND
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 |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 350n/an/an/an/an/an/a



Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
In vitro inhibition of maximum porcine tubulin assembly rate after 20 min at 37 degrees C


J Med Chem 46: 3382-94 (2003)


Article DOI: 10.1021/jm0307685
BindingDB Entry DOI: 10.7270/Q2VT1VVK
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 |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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CancerCare Manitoba

Curated by ChEMBL


Assay Description
Inhibition of porcine brain tubulin polymerization


J Med Chem 50: 6059-66 (2007)


Article DOI: 10.1021/jm0708984
BindingDB Entry DOI: 10.7270/Q20C4ZJP
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 |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 350n/an/an/an/an/an/a



Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetric assay


J Med Chem 52: 1284-94 (2009)


Article DOI: 10.1021/jm801338r
BindingDB Entry DOI: 10.7270/Q2VD7274
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 |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 350n/an/an/an/an/an/a



Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry


Eur J Med Chem 45: 3420-38 (2010)


Article DOI: 10.1016/j.ejmech.2010.04.032
BindingDB Entry DOI: 10.7270/Q2W95D13
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta chain


(Sus scrofa)
BDBM50469125
PNG
(CHEMBL1210959)
Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]-2/c3cccc(Cl)c3-[#6](=O)-c3c(Cl)cccc-23)c(-[#8]-[#6])c1-[#8]
Show InChI InChI=1S/C23H16Cl2O4/c1-28-18-10-9-12(23(29-2)21(18)26)11-15-13-5-3-7-16(24)19(13)22(27)20-14(15)6-4-8-17(20)25/h3-11,26H,1-2H3
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Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry


Eur J Med Chem 45: 3420-38 (2010)


Article DOI: 10.1016/j.ejmech.2010.04.032
BindingDB Entry DOI: 10.7270/Q2W95D13
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50482385
PNG
(CHEMBL1210322)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)\C=C1/c2cccc(Cl)c2C(=O)c2cccc(Cl)c12
Show InChI InChI=1S/C25H18Cl2O5/c1-30-20-10-13(11-21(31-2)25(20)32-3)19(28)12-16-14-6-4-9-18(27)23(14)24(29)15-7-5-8-17(26)22(15)16/h4-12H,1-3H3/b16-12+
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Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry


Eur J Med Chem 45: 3420-38 (2010)


Article DOI: 10.1016/j.ejmech.2010.04.032
BindingDB Entry DOI: 10.7270/Q2W95D13
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50469121
PNG
(CHEMBL1210876)
Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]-2/c3cccc(Cl)c3-[#6](=O)-c3c(Cl)cccc-23)cc1-[#8]
Show InChI InChI=1S/C22H14Cl2O3/c1-27-19-9-8-12(11-18(19)25)10-15-13-4-2-6-16(23)20(13)22(26)21-14(15)5-3-7-17(21)24/h2-11,25H,1H3
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Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry


Eur J Med Chem 45: 3420-38 (2010)


Article DOI: 10.1016/j.ejmech.2010.04.032
BindingDB Entry DOI: 10.7270/Q2W95D13
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50474300
PNG
(CHEMBL116173)
Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]-2\c3ccccc3-[#6](=O)-c3ccccc-23)cc1-[#8]
Show InChI InChI=1S/C22H16O3/c1-25-21-11-10-14(13-20(21)23)12-19-15-6-2-4-8-17(15)22(24)18-9-5-3-7-16(18)19/h2-13,23H,1H3
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n/an/a 370n/an/an/an/an/an/a



Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration required to displace [3H]colchicine from its binding site on Tubulin


J Med Chem 46: 3382-94 (2003)


Article DOI: 10.1021/jm0307685
BindingDB Entry DOI: 10.7270/Q2VT1VVK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta chain


(Sus scrofa)
BDBM50476049
PNG
(CHEMBL219102)
Show SMILES COc1cc(\C=C2/c3sccc3C(=O)c3ccccc23)cc(OC)c1O
Show InChI InChI=1S/C21H16O4S/c1-24-17-10-12(11-18(25-2)20(17)23)9-16-13-5-3-4-6-14(13)19(22)15-7-8-26-21(15)16/h3-11,23H,1-2H3/b16-9-
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n/an/a 380n/an/an/an/an/an/a



Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization in porcine brain


J Med Chem 49: 7816-25 (2006)


Article DOI: 10.1021/jm0605031
BindingDB Entry DOI: 10.7270/Q28918ND
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50482387
PNG
(CHEMBL1209944)
Show SMILES COc1cc(\C=C2\c3cccc(Cl)c3C(=O)c3cccc(Cl)c23)ccc1O
Show InChI InChI=1S/C22H14Cl2O3/c1-27-19-11-12(8-9-18(19)25)10-15-13-4-2-7-17(24)21(13)22(26)14-5-3-6-16(23)20(14)15/h2-11,25H,1H3/b15-10-
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n/an/a 380n/an/an/an/an/an/a



Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry


Eur J Med Chem 45: 3420-38 (2010)


Article DOI: 10.1016/j.ejmech.2010.04.032
BindingDB Entry DOI: 10.7270/Q2W95D13
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50477244
PNG
(CHEMBL237880)
Show SMILES COc1cccc(c1)S(=O)(=O)Oc1c2ccccc2cc2ccccc12
Show InChI InChI=1S/C21H16O4S/c1-24-17-9-6-10-18(14-17)26(22,23)25-21-19-11-4-2-7-15(19)13-16-8-3-5-12-20(16)21/h2-14H,1H3
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n/an/a 390n/an/an/an/an/an/a



CancerCare Manitoba

Curated by ChEMBL


Assay Description
Inhibition of porcine brain tubulin polymerization


J Med Chem 50: 6059-66 (2007)


Article DOI: 10.1021/jm0708984
BindingDB Entry DOI: 10.7270/Q20C4ZJP
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50479547
PNG
(CHEMBL455138)
Show SMILES [#6]-[#8]-c1ccc(cc1)-[#6](=O)\[#6]=[#6]-1\c2ccccc2-[#6](=O)-c2ccccc-12
Show InChI InChI=1S/C23H16O3/c1-26-16-12-10-15(11-13-16)22(24)14-21-17-6-2-4-8-19(17)23(25)20-9-5-3-7-18(20)21/h2-14H,1H3
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n/an/a 400n/an/an/an/an/an/a



Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
Displacement of [3H]Colchicine from pig biotinylated tubulin after 2 hrs by SPA


J Med Chem 52: 1284-94 (2009)


Article DOI: 10.1021/jm801338r
BindingDB Entry DOI: 10.7270/Q2VD7274
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50504509
PNG
(CHEMBL4452039)
Show SMILES COc1ccc(cc1N)-n1ccnc1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C19H21N3O4/c1-23-15-6-5-13(11-14(15)20)22-8-7-21-19(22)12-9-16(24-2)18(26-4)17(10-12)25-3/h5-11H,20H2,1-4H3
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n/an/a 400n/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
Tubulin beta chain


(Sus scrofa)
BDBM50482392
PNG
(CHEMBL1210418)
Show SMILES CC(=O)Oc1ccc(cc1)C(=O)\C=C1/c2cccc(Cl)c2C(=O)c2cccc(Cl)c12
Show InChI InChI=1S/C24H14Cl2O4/c1-13(27)30-15-10-8-14(9-11-15)21(28)12-18-16-4-2-7-20(26)23(16)24(29)17-5-3-6-19(25)22(17)18/h2-12H,1H3/b18-12+
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n/an/a 410n/an/an/an/an/an/a



Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry


Eur J Med Chem 45: 3420-38 (2010)


Article DOI: 10.1016/j.ejmech.2010.04.032
BindingDB Entry DOI: 10.7270/Q2W95D13
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50500401
PNG
(CHEMBL3746593)
Show SMILES COc1ccc(NC(=O)C(=O)c2cn(CC3CCCO3)c3ccccc23)cn1
Show InChI InChI=1S/C21H21N3O4/c1-27-19-9-8-14(11-22-19)23-21(26)20(25)17-13-24(12-15-5-4-10-28-15)18-7-3-2-6-16(17)18/h2-3,6-9,11,13,15H,4-5,10,12H2,1H3,(H,23,26)
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n/an/a 420n/an/an/an/an/an/a



University of Sheffield

Curated by ChEMBL


Assay Description
Displacement of [3H]-colchicine from biotinylated porcine tubulin after 2 hrs by competitive binding assay


J Med Chem 58: 9309-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01312
BindingDB Entry DOI: 10.7270/Q2Z60S2S
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50482380
PNG
(CHEMBL1209943)
Show SMILES COc1ccc(\C=C2/c3cccc(Cl)c3C(=O)c3cccc(Cl)c23)cc1O
Show InChI InChI=1S/C22H14Cl2O3/c1-27-19-9-8-12(11-18(19)25)10-15-13-4-2-7-17(24)21(13)22(26)14-5-3-6-16(23)20(14)15/h2-11,25H,1H3/b15-10+
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n/an/a 420n/an/an/an/an/an/a



Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry


Eur J Med Chem 45: 3420-38 (2010)


Article DOI: 10.1016/j.ejmech.2010.04.032
BindingDB Entry DOI: 10.7270/Q2W95D13
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50474288
PNG
(CHEMBL112192)
Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]-2\c3ccccc3-[#6](=O)-c3ccccc-23)c(-[#8]-[#6])c1-[#8]
Show InChI InChI=1S/C23H18O4/c1-26-20-12-11-14(23(27-2)22(20)25)13-19-15-7-3-5-9-17(15)21(24)18-10-6-4-8-16(18)19/h3-13,25H,1-2H3
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n/an/a 430n/an/an/an/an/an/a



Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
In vitro inhibition of maximum porcine tubulin assembly rate after 20 min at 37 degrees C


J Med Chem 46: 3382-94 (2003)


Article DOI: 10.1021/jm0307685
BindingDB Entry DOI: 10.7270/Q2VT1VVK
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50484086
PNG
(CHEMBL1814612)
Show SMILES [#6]-[#8]-c1ccc(cc1-[#8])\[#7]=[#6]-1\c2ccccc2-[#6](=O)-c2ccccc-12
Show InChI InChI=1S/C21H15NO3/c1-25-19-11-10-13(12-18(19)23)22-20-14-6-2-4-8-16(14)21(24)17-9-5-3-7-15(17)20/h2-12,23H,1H3
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Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry analysis


Bioorg Med Chem 19: 4183-91 (2011)


Article DOI: 10.1016/j.bmc.2011.06.010
BindingDB Entry DOI: 10.7270/Q2222XKG
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50474290
PNG
(CHEMBL115499)
Show SMILES [#8]-c1c(Br)cc(\[#6]=[#6]-2\c3ccccc3-[#6](=O)-c3ccccc-23)cc1Br
Show InChI InChI=1S/C21H12Br2O2/c22-18-10-12(11-19(23)21(18)25)9-17-13-5-1-3-7-15(13)20(24)16-8-4-2-6-14(16)17/h1-11,25H
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Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
In vitro inhibition of maximum porcine tubulin assembly rate after 20 min at 37 degrees C


J Med Chem 46: 3382-94 (2003)


Article DOI: 10.1021/jm0307685
BindingDB Entry DOI: 10.7270/Q2VT1VVK
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50476048
PNG
(CHEMBL219439)
Show SMILES COc1ccc(\C=C2/c3sccc3C(=O)c3ccccc23)c(OC)c1O
Show InChI InChI=1S/C21H16O4S/c1-24-17-8-7-12(20(25-2)19(17)23)11-16-13-5-3-4-6-14(13)18(22)15-9-10-26-21(15)16/h3-11,23H,1-2H3/b16-11-
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Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization in porcine brain


J Med Chem 49: 7816-25 (2006)


Article DOI: 10.1021/jm0605031
BindingDB Entry DOI: 10.7270/Q28918ND
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50500404
PNG
(CHEMBL3747333)
Show SMILES COCCn1cc(C(=O)C(=O)Nc2ccc(OC(C)C)nc2)c2ccccc12
Show InChI InChI=1S/C21H23N3O4/c1-14(2)28-19-9-8-15(12-22-19)23-21(26)20(25)17-13-24(10-11-27-3)18-7-5-4-6-16(17)18/h4-9,12-14H,10-11H2,1-3H3,(H,23,26)
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University of Sheffield

Curated by ChEMBL


Assay Description
Displacement of [3H]-colchicine from biotinylated porcine tubulin after 2 hrs by competitive binding assay


J Med Chem 58: 9309-33 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01312
BindingDB Entry DOI: 10.7270/Q2Z60S2S
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50482374
PNG
(CHEMBL1210416)
Show SMILES Clc1cccc2\C(=C/C(=O)c3ccc(Br)cc3)c3c(Cl)cccc3C(=O)c12
Show InChI InChI=1S/C22H11BrCl2O2/c23-13-9-7-12(8-10-13)19(26)11-16-14-3-1-6-18(25)21(14)22(27)15-4-2-5-17(24)20(15)16/h1-11H/b16-11+
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Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry


Eur J Med Chem 45: 3420-38 (2010)


Article DOI: 10.1016/j.ejmech.2010.04.032
BindingDB Entry DOI: 10.7270/Q2W95D13
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50483993
PNG
(CHEMBL1802017)
Show SMILES COc1ccc(cc1O)C(=O)N1c2ccccc2Oc2cc(ccc12)C#N
Show InChI InChI=1S/C21H14N2O4/c1-26-19-9-7-14(11-17(19)24)21(25)23-15-4-2-3-5-18(15)27-20-10-13(12-22)6-8-16(20)23/h2-11,24H,1H3
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Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
Inhibition of pig tubulin polymerization determined after 45 mins at 37 degC by turbidimetric analysis


J Med Chem 54: 4247-63 (2011)


Article DOI: 10.1021/jm200436t
BindingDB Entry DOI: 10.7270/Q2BK1G7W
More data for this
Ligand-Target Pair
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)
BDBM50479547
PNG
(CHEMBL455138)
Show SMILES [#6]-[#8]-c1ccc(cc1)-[#6](=O)\[#6]=[#6]-1\c2ccccc2-[#6](=O)-c2ccccc-12
Show InChI InChI=1S/C23H16O3/c1-26-16-12-10-15(11-13-16)22(24)14-21-17-6-2-4-8-19(17)23(25)20-9-5-3-7-18(20)21/h2-14H,1H3
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Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetric assay


J Med Chem 52: 1284-94 (2009)


Article DOI: 10.1021/jm801338r
BindingDB Entry DOI: 10.7270/Q2VD7274
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50482379
PNG
(CHEMBL1210963)
Show SMILES COc1ccc(\C=C2\c3cccc(Cl)c3C(=O)c3cccc(Cl)c23)cc1
Show InChI InChI=1S/C22H14Cl2O2/c1-26-14-10-8-13(9-11-14)12-17-15-4-2-7-19(24)21(15)22(25)16-5-3-6-18(23)20(16)17/h2-12H,1H3/b17-12-
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Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry


Eur J Med Chem 45: 3420-38 (2010)


Article DOI: 10.1016/j.ejmech.2010.04.032
BindingDB Entry DOI: 10.7270/Q2W95D13
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50482372
PNG
(CHEMBL1210319)
Show SMILES COc1ccc(cc1)C(=O)\C=C1/c2cccc(Cl)c2C(=O)c2cccc(Cl)c12
Show InChI InChI=1S/C23H14Cl2O3/c1-28-14-10-8-13(9-11-14)20(26)12-17-15-4-2-7-19(25)22(15)23(27)16-5-3-6-18(24)21(16)17/h2-12H,1H3/b17-12+
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Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry


Eur J Med Chem 45: 3420-38 (2010)


Article DOI: 10.1016/j.ejmech.2010.04.032
BindingDB Entry DOI: 10.7270/Q2W95D13
More data for this
Ligand-Target Pair
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 |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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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to pig brain tubulin at 10 uM after 15 mins relative to control


Bioorg Med Chem 16: 7552-60 (2008)


Article DOI: 10.1016/j.bmc.2008.07.039
BindingDB Entry DOI: 10.7270/Q2FN1909
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta chain


(Sus scrofa)
BDBM50483990
PNG
(CHEMBL1801900)
Show SMILES COc1ccc(cc1)C(=O)N1c2ccccc2Oc2ccc(Cl)cc12
Show InChI InChI=1S/C20H14ClNO3/c1-24-15-9-6-13(7-10-15)20(23)22-16-4-2-3-5-18(16)25-19-11-8-14(21)12-17(19)22/h2-12H,1H3
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Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
Inhibition of pig tubulin polymerization determined after 45 mins at 37 degC by turbidimetric analysis


J Med Chem 54: 4247-63 (2011)


Article DOI: 10.1021/jm200436t
BindingDB Entry DOI: 10.7270/Q2BK1G7W
More data for this
Ligand-Target Pair
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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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)
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 |r,c:48|
Show InChI InChI=1S/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-/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q2V40XCV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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