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Compile Data Set for Download or QSAR

Found 381 hits Enz. Inhib. hit(s) with Target = 'Tubulin' AND taxid = 9823   
Target
(Institution)
LigandTarget
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


(Sus scrofa (Pig))
BDBM50009568
PNG
((Thiocolchicine)N-(1,2,3-Trimethoxy-10-methylsulfa...)
Show SMILES COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(SC)ccc3-c2c(OC)c1OC
Show InChI InChI=1S/C22H25NO5S/c1-12(24)23-16-8-6-13-10-18(26-2)21(27-3)22(28-4)20(13)14-7-9-19(29-5)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1
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700n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit the binding of [3H]-colchicine to tubulin in competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
BDBM50280009
PNG
(CHEMBL88059 | N-((S)-1,2,3-Trimethoxy-10-methylami...)
Show SMILES CNc1ccc2-c3c(CC[C@H](NC(C)=O)c2cc1=O)cc(OC)c(OC)c3OC
Show InChI InChI=1S/C22H26N2O5/c1-12(25)24-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-17(23-2)18(26)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,26)(H,24,25)/t16-/m0/s1
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750n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit the binding of [3H]-colchicine to tubulin in competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
BDBM50280140
PNG
(CHEMBL418565 | [6-(3,4,5-Trimethoxy-benzyloxy)-imi...)
Show SMILES COC(=O)Nc1cn2nc(OCc3cc(OC)c(OC)c(OC)c3)ccc2n1
Show InChI InChI=1S/C18H20N4O6/c1-24-12-7-11(8-13(25-2)17(12)26-3)10-28-16-6-5-15-19-14(9-22(15)21-16)20-18(23)27-4/h5-9H,10H2,1-4H3,(H,20,23)
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750n/an/an/an/an/an/an/an/a


TBA

Assay Description
Compound was tested for competitive inhibition with radioligand [3H]colchicine at colchicine site of mammalian tubulin


Citation and Details
More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
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=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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2.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit the binding of [3H]-colchicine to tubulin in competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin


(Sus scrofa (Pig))
BDBM50280008
PNG
(2-Methylamino-5-(2,3,4-trimethoxy-phenyl)-cyclohep...)
Show SMILES CNc1ccc(ccc1=O)-c1ccc(OC)c(OC)c1OC
Show InChI InChI=1S/C17H19NO4/c1-18-13-8-5-11(6-9-14(13)19)12-7-10-15(20-2)17(22-4)16(12)21-3/h5-10H,1-4H3,(H,18,19)
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2.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit the binding of [3H]-colchicine to tubulin in competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
BDBM50279934
PNG
(2-Methoxy-5-(2,3,4-trimethoxy-phenyl)-cyclohepta-2...)
Show SMILES COc1ccc(c(OC)c1OC)-c1ccc(OC)c(=O)cc1
Show InChI InChI=1S/C17H18O5/c1-19-14-9-6-11(5-8-13(14)18)12-7-10-15(20-2)17(22-4)16(12)21-3/h5-10H,1-4H3
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1.15E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit the binding of [3H]-colchicine to tubulin in competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
BDBM50280007
PNG
(2-Methylsulfanyl-5-(2,3,4-trimethoxy-phenyl)-cyclo...)
Show SMILES COc1ccc(c(OC)c1OC)-c1ccc(SC)c(=O)cc1
Show InChI InChI=1S/C17H18O4S/c1-19-14-9-7-12(16(20-2)17(14)21-3)11-5-8-13(18)15(22-4)10-6-11/h5-10H,1-4H3
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2.20E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit the binding of [3H]-colchicine to tubulin in competitive binding assay


Citation and Details
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=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 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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin


(Sus scrofa (Pig))
BDBM50070103
PNG
((E)-1-(2',5'-Dimethoxyphenyl)-3-(4''-N,N-Dimethyla...)
Show SMILES COc1ccc(OC)c(c1)C(=O)C(\C)=C\c1ccc(cc1)N(C)C
Show InChI InChI=1S/C20H23NO3/c1-14(12-15-6-8-16(9-7-15)21(2)3)20(22)18-13-17(23-4)10-11-19(18)24-5/h6-13H,1-5H3/b14-12+
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n/an/a 12n/an/an/an/an/an/a



University of Manchester Institute of Science and Technology

Curated by ChEMBL


Assay Description
Tested for inhibition of polymerization of tubulin


Bioorg Med Chem Lett 8: 1051-6 (1999)

More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
BDBM50112256
PNG
(3,4,5-Trimethoxy-benzaldehyde O-(8-hydroxy-5-methy...)
Show SMILES COc1cc(\C=N/OC\C=C\C=C(/C)CCC(O)c2cccs2)cc(OC)c1OC
Show InChI InChI=1S/C23H29NO5S/c1-17(10-11-19(25)22-9-7-13-30-22)8-5-6-12-29-24-16-18-14-20(26-2)23(28-4)21(15-18)27-3/h5-9,13-16,19,25H,10-12H2,1-4H3/b6-5+,17-8+,24-16-
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n/an/a 170n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Ability to inhibit the GTP/glutamate-induced polymerization of tubulin


J Med Chem 45: 1901-17 (2002)

More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
BDBM50139772
PNG
(22-oxovincaleukoblastine | leurocristine | vincris...)
Show SMILES CC[C@]1(O)C[C@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C=O)[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=1S/C46H56N4O10/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1
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n/an/a 220n/an/an/an/an/an/a


TBA

Assay Description
The compound was evaluated in vitro for the mammalian brain tubulin polymerization using standard assay.


Citation and Details
More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
BDBM50280140
PNG
(CHEMBL418565 | [6-(3,4,5-Trimethoxy-benzyloxy)-imi...)
Show SMILES COC(=O)Nc1cn2nc(OCc3cc(OC)c(OC)c(OC)c3)ccc2n1
Show InChI InChI=1S/C18H20N4O6/c1-24-12-7-11(8-13(25-2)17(12)26-3)10-28-16-6-5-15-19-14(9-22(15)21-16)20-18(23)27-4/h5-9H,10H2,1-4H3,(H,20,23)
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n/an/a 310n/an/an/an/an/an/a


TBA

Assay Description
In vitro mammalian brain tubulin polymerization using standard assay.


Citation and Details
More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
BDBM50037463
PNG
(2-(3-Methoxy-phenyl)-6-morpholin-4-yl-1H-quinolin-...)
Show SMILES COc1cccc(c1)-c1cc(O)c2cc(ccc2n1)N1CCOCC1
Show InChI InChI=1S/C20H20N2O3/c1-24-16-4-2-3-14(11-16)19-13-20(23)17-12-15(5-6-18(17)21-19)22-7-9-25-10-8-22/h2-6,11-13H,7-10H2,1H3,(H,21,23)
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n/an/a 363n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)

More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
BDBM50037454
PNG
(6-(3-Chloro-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin...)
Show SMILES Oc1cc(nc2cc3OCOc3cc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C16H10ClNO3/c17-10-3-1-2-9(4-10)12-6-14(19)11-5-15-16(21-8-20-15)7-13(11)18-12/h1-7H,8H2,(H,18,19)
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n/an/a 372n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)

More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
BDBM50037448
PNG
(6-Dimethylamino-2-(3-methoxy-phenyl)-1H-quinolin-4...)
Show SMILES COc1cccc(c1)-c1cc(O)c2cc(ccc2n1)N(C)C
Show InChI InChI=1S/C18H18N2O2/c1-20(2)13-7-8-16-15(10-13)18(21)11-17(19-16)12-5-4-6-14(9-12)22-3/h4-11H,1-3H3,(H,19,21)
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n/an/a 380n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)

More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
BDBM50037450
PNG
(2-(3-Methoxy-phenyl)-6-pyrrolidin-1-yl-1H-quinolin...)
Show SMILES COc1cccc(c1)-c1cc(O)c2cc(ccc2n1)N1CCCC1
Show InChI InChI=1S/C20H20N2O2/c1-24-16-6-4-5-14(11-16)19-13-20(23)17-12-15(7-8-18(17)21-19)22-9-2-3-10-22/h4-8,11-13H,2-3,9-10H2,1H3,(H,21,23)
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n/an/a 437n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)

More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
BDBM50409014
PNG
(CHEMBL50139)
Show SMILES Oc1cc(nc2cc3OCOc3cc12)-c1cccc(OC(=O)c2ccccc2)c1
Show InChI InChI=1S/C23H15NO5/c25-20-11-18(24-19-12-22-21(10-17(19)20)27-13-28-22)15-7-4-8-16(9-15)29-23(26)14-5-2-1-3-6-14/h1-12H,13H2,(H,24,25)
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n/an/a 447n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)

More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
BDBM50106309
PNG
(2-(2'-fluorophenyl)-6-pyrolinyl-4-(1H)-quinolone |...)
Show SMILES Oc1cc(nc2ccc(cc12)N1CCCC1)-c1ccccc1F
Show InChI InChI=1S/C19H17FN2O/c20-16-6-2-1-5-14(16)18-12-19(23)15-11-13(7-8-17(15)21-18)22-9-3-4-10-22/h1-2,5-8,11-12H,3-4,9-10H2,(H,21,23)
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n/an/a 457n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)

More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
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=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 460n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization.(ITP)


J Med Chem 44: 3932-6 (2001)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin


(Sus scrofa (Pig))
BDBM50037462
PNG
(6-(3-Hydroxy-phenyl)-5H-[1,3]dioxolo[4,5-g]quinoli...)
Show SMILES Oc1cccc(c1)-c1cc(O)c2cc3OCOc3cc2n1
Show InChI InChI=1S/C16H11NO4/c18-10-3-1-2-9(4-10)12-6-14(19)11-5-15-16(21-8-20-15)7-13(11)17-12/h1-7,18H,8H2,(H,17,19)
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n/an/a 468n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)

More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
BDBM50070107
PNG
((E)-3-(3''-Hydroxy-4''-methoxyphenyl)-2-methyl-1-(...)
Show SMILES COc1ccc(\C=C(/C)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1O
Show InChI InChI=1S/C20H22O6/c1-12(8-13-6-7-16(23-2)15(21)9-13)19(22)14-10-17(24-3)20(26-5)18(11-14)25-4/h6-11,21H,1-5H3/b12-8+
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n/an/a 500n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Concentration that cause a 50% inhibition in tubulin assembly as measured by an increase inturbidity using microtubule assembly assay


Bioorg Med Chem Lett 13: 3759-63 (2003)

More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
BDBM50059968
PNG
(2-(3-Fluoro-phenyl)-7-methyl-1H-[1,8]naphthyridin-...)
Show SMILES Cc1ccc2c(O)cc(nc2n1)-c1cccc(F)c1
Show InChI InChI=1S/C15H11FN2O/c1-9-5-6-12-14(19)8-13(18-15(12)17-9)10-3-2-4-11(16)7-10/h2-8H,1H3,(H,17,18,19)
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n/an/a 525n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)

More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
BDBM50037457
PNG
(6-(3-Fluoro-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin...)
Show SMILES Oc1cc(nc2cc3OCOc3cc12)-c1cccc(F)c1
Show InChI InChI=1S/C16H10FNO3/c17-10-3-1-2-9(4-10)12-6-14(19)11-5-15-16(21-8-20-15)7-13(11)18-12/h1-7H,8H2,(H,18,19)
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n/an/a 525n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)

More data for this
Ligand-Target Pair
Tubulin


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



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization(ITP)


J Med Chem 44: 3932-6 (2001)

More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
BDBM50059964
PNG
(6-Methyl-2-naphthalen-1-yl-1H-[1,8]naphthyridin-4-...)
Show SMILES Cc1cnc2nc(cc(O)c2c1)-c1cccc2ccccc12
Show InChI InChI=1S/C19H14N2O/c1-12-9-16-18(22)10-17(21-19(16)20-11-12)15-8-4-6-13-5-2-3-7-14(13)15/h2-11H,1H3,(H,20,21,22)
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n/an/a 550n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)

More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
BDBM50056948
PNG
(CHEMBL49847 | Isonicotinic acid (S)-1,2,3-trimetho...)
Show SMILES COc1cc2CC[C@H](OC(=O)c3ccncc3)c3cc(=O)c(SC)ccc3-c2c(OC)c1OC
Show InChI InChI=1S/C26H25NO6S/c1-30-21-13-16-5-7-20(33-26(29)15-9-11-27-12-10-15)18-14-19(28)22(34-4)8-6-17(18)23(16)25(32-3)24(21)31-2/h6,8-14,20H,5,7H2,1-4H3/t20-/m0/s1
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n/an/a 562n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)

More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
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 575n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)

More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
BDBM50409024
PNG
(CHEMBL48525)
Show SMILES COc1cccc(c1)C1=Nc2ncccc2C(C)C1
Show InChI InChI=1S/C16H16N2O/c1-11-9-15(12-5-3-6-13(10-12)19-2)18-16-14(11)7-4-8-17-16/h3-8,10-11H,9H2,1-2H3
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n/an/a 617n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)

More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
BDBM50059971
PNG
(2-(3-Fluoro-phenyl)-6-methyl-1H-[1,8]naphthyridin-...)
Show SMILES Cc1cnc2nc(cc(O)c2c1)-c1cccc(F)c1
Show InChI InChI=1S/C15H11FN2O/c1-9-5-12-14(19)7-13(18-15(12)17-8-9)10-3-2-4-11(16)6-10/h2-8H,1H3,(H,17,18,19)
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n/an/a 631n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site


J Med Chem 43: 167-76 (2000)

More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
BDBM50009568
PNG
((Thiocolchicine)N-(1,2,3-Trimethoxy-10-methylsulfa...)
Show SMILES COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(SC)ccc3-c2c(OC)c1OC
Show InChI InChI=1S/C22H25NO5S/c1-12(24)23-16-8-6-13-10-18(26-2)21(27-3)22(28-4)20(13)14-7-9-19(29-5)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 646n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)

More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
BDBM50037459
PNG
(6-(3-Methylamino-phenyl)-5H-[1,3]dioxolo[4,5-g]qui...)
Show SMILES CNc1cccc(c1)-c1cc(O)c2cc3OCOc3cc2n1
Show InChI InChI=1S/C17H14N2O3/c1-18-11-4-2-3-10(5-11)13-7-15(20)12-6-16-17(22-9-21-16)8-14(12)19-13/h2-8,18H,9H2,1H3,(H,19,20)
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n/an/a 646n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50369013
PNG
(CHEMBL1627442)
Show SMILES CCOc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O
Show InChI InChI=1S/C20H28O3/c1-3-23-18-11-15-12(10-17(18)21)4-5-14-13(15)8-9-20(2)16(14)6-7-19(20)22/h10-11,13-14,16,19,21-22H,3-9H2,1-2H3/t13-,14+,16-,19-,20-/m0/s1
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n/an/a 660n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of polymerization of purified bovine tubulin


J Med Chem 43: 2419-29 (2000)

More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
BDBM50059966
PNG
(7-Methyl-2-naphthalen-1-yl-1H-[1,8]naphthyridin-4-...)
Show SMILES Cc1ccc2c(O)cc(nc2n1)-c1cccc2ccccc12
Show InChI InChI=1S/C19H14N2O/c1-12-9-10-16-18(22)11-17(21-19(16)20-12)15-8-4-6-13-5-2-3-7-14(13)15/h2-11H,1H3,(H,20,21,22)
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n/an/a 661n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)

More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
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 680n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization(ITP)


J Med Chem 44: 3932-6 (2001)

More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
BDBM50063845
PNG
((S)-6-(3-Methoxy-phenyl)-6,7-dihydro-5H-[1,3]dioxo...)
Show SMILES COc1cccc(c1)[C@@H]1CC(=O)c2cc3OCOc3cc2N1
Show InChI InChI=1S/C17H15NO4/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/h2-6,8,13,18H,7,9H2,1H3/t13-/m0/s1
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n/an/a 692n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)

More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
BDBM50059961
PNG
(2-(3-Chloro-phenyl)-6-methyl-1H-[1,8]naphthyridin-...)
Show SMILES Cc1cnc2nc(cc(O)c2c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C15H11ClN2O/c1-9-5-12-14(19)7-13(18-15(12)17-8-9)10-3-2-4-11(16)6-10/h2-8H,1H3,(H,17,18,19)
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n/an/a 724n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)

More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
BDBM50409011
PNG
(CHEMBL45711)
Show SMILES COc1cccc(c1)-c1cc(O)c2c(Cl)ccnc2n1
Show InChI InChI=1S/C15H11ClN2O2/c1-20-10-4-2-3-9(7-10)12-8-13(19)14-11(16)5-6-17-15(14)18-12/h2-8H,1H3,(H,17,18,19)
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n/an/a 724n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)

More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
BDBM50037453
PNG
(6-(3-Amino-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-...)
Show SMILES Nc1cccc(c1)-c1cc(O)c2cc3OCOc3cc2n1
Show InChI InChI=1S/C16H12N2O3/c17-10-3-1-2-9(4-10)12-6-14(19)11-5-15-16(21-8-20-15)7-13(11)18-12/h1-7H,8,17H2,(H,18,19)
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n/an/a 724n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50125182
PNG
(CHEMBL3623606)
Show SMILES CCn1ccc2c1ccc1nc(cc(OC(=O)OCc3ccccc3)c21)-c1ccccc1
Show InChI InChI=1S/C27H22N2O3/c1-2-29-16-15-21-24(29)14-13-22-26(21)25(17-23(28-22)20-11-7-4-8-12-20)32-27(30)31-18-19-9-5-3-6-10-19/h3-17H,2,18H2,1H3
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n/an/a 740n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization assessed as protein assembly after 20 mins by turbidimetric analysis


J Med Chem 58: 7991-8010 (2015)

More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
BDBM50059975
PNG
(2-(3-Fluoro-phenyl)-5,7-dimethyl-1H-[1,8]naphthyri...)
Show SMILES Cc1cc(C)c2c(O)cc(nc2n1)-c1cccc(F)c1
Show InChI InChI=1S/C16H13FN2O/c1-9-6-10(2)18-16-15(9)14(20)8-13(19-16)11-4-3-5-12(17)7-11/h3-8H,1-2H3,(H,18,19,20)
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n/an/a 741n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50125226
PNG
(CHEMBL3623611)
Show SMILES CCOC(=O)CCn1ccc2c1ccc1[nH]c(cc(=O)c21)-c1ccccc1
Show InChI InChI=1S/C22H20N2O3/c1-2-27-21(26)11-13-24-12-10-16-19(24)9-8-17-22(16)20(25)14-18(23-17)15-6-4-3-5-7-15/h3-10,12,14H,2,11,13H2,1H3,(H,23,25)
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n/an/a 750n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization assessed as protein assembly after 20 mins by turbidimetric analysis


J Med Chem 58: 7991-8010 (2015)

More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
BDBM50056949
PNG
(CHEMBL49518 | Nicotinic acid (S)-1,2,3-trimethoxy-...)
Show SMILES COc1cc2CC[C@H](OC(=O)c3cccnc3)c3cc(=O)c(SC)ccc3-c2c(OC)c1OC
Show InChI InChI=1S/C26H25NO6S/c1-30-21-12-15-7-9-20(33-26(29)16-6-5-11-27-14-16)18-13-19(28)22(34-4)10-8-17(18)23(15)25(32-3)24(21)31-2/h5-6,8,10-14,20H,7,9H2,1-4H3/t20-/m0/s1
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n/an/a 759n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)

More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
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 759n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)

More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
BDBM50059978
PNG
(5,7-Dimethyl-2-naphthalen-1-yl-1H-[1,8]naphthyridi...)
Show SMILES Cc1cc(C)c2c(O)cc(nc2n1)-c1cccc2ccccc12
Show InChI InChI=1S/C20H16N2O/c1-12-10-13(2)21-20-19(12)18(23)11-17(22-20)16-9-5-7-14-6-3-4-8-15(14)16/h3-11H,1-2H3,(H,21,22,23)
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n/an/a 776n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)

More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
BDBM50059976
PNG
(2-(3-Chloro-phenyl)-5,7-dimethyl-1H-[1,8]naphthyri...)
Show SMILES Cc1cc(C)c2c(O)cc(nc2n1)-c1cccc(Cl)c1
Show InChI InChI=1S/C16H13ClN2O/c1-9-6-10(2)18-16-15(9)14(20)8-13(19-16)11-4-3-5-12(17)7-11/h3-8H,1-2H3,(H,18,19,20)
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n/an/a 776n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)

More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
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 794n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)

More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
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=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 800n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization(ITP)


J Med Chem 44: 3932-6 (2001)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin


(Sus scrofa (Pig))
BDBM50037447
PNG
(6-(3-Trifluoromethyl-phenyl)-5H-[1,3]dioxolo[4,5-g...)
Show SMILES Oc1cc(nc2cc3OCOc3cc12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C17H10F3NO3/c18-17(19,20)10-3-1-2-9(4-10)12-6-14(22)11-5-15-16(24-8-23-15)7-13(11)21-12/h1-7H,8H2,(H,21,22)
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n/an/a 813n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)

More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
BDBM50090045
PNG
((2,3-Dihydroxy-4-methoxy-phenyl)-(3,4,5-trimethoxy...)
Show SMILES COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)c(O)c1O
Show InChI InChI=1S/C17H18O7/c1-21-11-6-5-10(15(19)16(11)20)14(18)9-7-12(22-2)17(24-4)13(8-9)23-3/h5-8,19-20H,1-4H3
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n/an/a 820n/an/an/an/an/an/a



Arizona State University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 43: 2731-7 (2000)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50089336
PNG
(9-Ethoxy-12a-methyl-1,2,3,3a,3b,4,10b,11,12,12a-de...)
Show SMILES CCOc1cc2C3CC[C@]4(C)[C@@H](O)CCC4C3CC=Cc2cc1O
Show InChI InChI=1S/C21H28O3/c1-3-24-19-12-16-13(11-18(19)22)5-4-6-15-14(16)9-10-21(2)17(15)7-8-20(21)23/h4-5,11-12,14-15,17,20,22-23H,3,6-10H2,1-2H3/t14?,15?,17?,20-,21-/m0/s1
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n/an/a 850n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of polymerization of purified bovine tubulin


J Med Chem 43: 2419-29 (2000)

More data for this
Ligand-Target Pair
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