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Compile Data Set for Download or QSAR

Found 86 hits Enz. Inhib. hit(s) with Target = 'Tubulin beta-1 chain' AND taxid = 9606   
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 beta-1 chain


(Homo sapiens)
BDBM50159307
PNG
(2-Methoxy-5-[(Z)-2-(3,4,5-trimethyl-phenyl)-vinyl]...)
Show SMILES COc1ccc(\C=C/c2cc(C)c(C)c(C)c2)cc1O
Show InChI InChI=1S/C18H20O2/c1-12-9-16(10-13(2)14(12)3)6-5-15-7-8-18(20-4)17(19)11-15/h5-11,19H,1-4H3/b6-5-
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n/an/a 120n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50159292
PNG
(2-Methoxy-5-[(Z)-2-(3,4,5-trimethoxy-phenyl)-but-1...)
Show SMILES CC\C(=C\c1ccc(OC)c(O)c1)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C20H24O5/c1-6-14(9-13-7-8-17(22-2)16(21)10-13)15-11-18(23-3)20(25-5)19(12-15)24-4/h7-12,21H,6H2,1-5H3/b14-9-
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n/an/a 130n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50159294
PNG
(2-Methoxy-5-[(Z)-2-(3,4,5-trimethoxy-phenyl)-prope...)
Show SMILES COc1ccc(\C=C(\C)c2cc(OC)c(OC)c(OC)c2)cc1O
Show InChI InChI=1S/C19H22O5/c1-12(8-13-6-7-16(21-2)15(20)9-13)14-10-17(22-3)19(24-5)18(11-14)23-4/h6-11,20H,1-5H3/b12-8-
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n/an/a 130n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
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 180n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50006677
PNG
(1,2,3-Trimethoxy-5-[(Z)-2-(4-methoxy-phenyl)-vinyl...)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1
Show InChI InChI=1S/C18H20O4/c1-19-15-9-7-13(8-10-15)5-6-14-11-16(20-2)18(22-4)17(12-14)21-3/h5-12H,1-4H3/b6-5-
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n/an/a 200n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50159295
PNG
((E)-3-(3''-Hydroxy-4''-methoxyphenyl)-1-(20,30,40-...)
Show SMILES COc1ccc(\C=C\C(=O)c2ccc(OC)c(OC)c2OC)cc1O
Show InChI InChI=1S/C19H20O6/c1-22-16-9-6-12(11-15(16)21)5-8-14(20)13-7-10-17(23-2)19(25-4)18(13)24-3/h5-11,21H,1-4H3/b8-5+
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n/an/a 450n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
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 460n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50159301
PNG
((Z)-3-(3''-Fluoro-4''-methoxyphenyl)-2-methoxy-1-(...)
Show SMILES CO\C(=C/c1ccc(OC)c(F)c1)C(=O)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C20H21FO6/c1-23-15-7-6-12(8-14(15)21)9-16(24-2)19(22)13-10-17(25-3)20(27-5)18(11-13)26-4/h6-11H,1-5H3/b16-9-
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n/an/a 470n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50159305
PNG
(2-Methoxy-5-[(Z)-2-(3,4,5-triethoxy-phenyl)-vinyl]...)
Show SMILES CCOc1cc(\C=C/c2ccc(OC)c(O)c2)cc(OCC)c1OCC
Show InChI InChI=1S/C21H26O5/c1-5-24-19-13-16(14-20(25-6-2)21(19)26-7-3)9-8-15-10-11-18(23-4)17(22)12-15/h8-14,22H,5-7H2,1-4H3/b9-8-
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n/an/a 500n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50159313
PNG
((Z)-3-(3''-Hydroxy-4''-methoxyphenyl)-2-methoxy-1-...)
Show SMILES CO\C(=C/c1ccc(OC)c(O)c1)C(=O)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C20H22O7/c1-23-15-7-6-12(8-14(15)21)9-16(24-2)19(22)13-10-17(25-3)20(27-5)18(11-13)26-4/h6-11,21H,1-5H3/b16-9-
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n/an/a 510n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50095321
PNG
(2-Methoxy-5-(3,4,5-trimethoxy-benzyloxy)-benzaldeh...)
Show SMILES COc1ccc(OCc2cc(OC)c(OC)c(OC)c2)cc1C=O
Show InChI InChI=1S/C18H20O6/c1-20-15-6-5-14(9-13(15)10-19)24-11-12-7-16(21-2)18(23-4)17(8-12)22-3/h5-10H,11H2,1-4H3
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n/an/a 560n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50070104
PNG
((2E)-3-(3-Hydroxy-4-methoxyphenyl)-1-(3,4,5-trimet...)
Show SMILES COc1ccc(\C=C\C(=O)c2cc(OC)c(OC)c(OC)c2)cc1O
Show InChI InChI=1S/C19H20O6/c1-22-16-8-6-12(9-15(16)21)5-7-14(20)13-10-17(23-2)19(25-4)18(11-13)24-3/h5-11,21H,1-4H3/b7-5+
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n/an/a 620n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50159290
PNG
(5-[(Z)-2-(4-Methoxy-phenyl)-vinyl]-1,2,3-trimethyl...)
Show SMILES COc1ccc(\C=C/c2cc(C)c(C)c(C)c2)cc1
Show InChI InChI=1S/C18H20O/c1-13-11-17(12-14(2)15(13)3)6-5-16-7-9-18(19-4)10-8-16/h5-12H,1-4H3/b6-5-
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n/an/a 650n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50159300
PNG
((E)-3-(3''-Fluoro-4''-methoxyphenyl)-2-methyl-1-(3...)
Show SMILES COc1ccc(\C=C(/C)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1F
Show InChI InChI=1S/C20H21FO5/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/h6-11H,1-5H3/b12-8+
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n/an/a 650n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50159311
PNG
(5-[(Z)-2-(3-Fluoro-4-methoxy-phenyl)-vinyl]-1,2,3-...)
Show SMILES COc1ccc(\C=C/c2cc(C)c(C)c(C)c2)cc1F
Show InChI InChI=1S/C18H19FO/c1-12-9-16(10-13(2)14(12)3)6-5-15-7-8-18(20-4)17(19)11-15/h5-11H,1-4H3/b6-5-
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n/an/a 700n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50151097
PNG
((6-Methoxy-2-methyl-1H-indol-3-yl)-(3,4,5-trimetho...)
Show SMILES COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(C)[nH]c2c1
Show InChI InChI=1S/C20H21NO5/c1-11-18(14-7-6-13(23-2)10-15(14)21-11)19(22)12-8-16(24-3)20(26-5)17(9-12)25-4/h6-10,21H,1-5H3
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n/an/a 900n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50168445
PNG
(5-[(Z)-2-(3-Bromo-4-methoxy-phenyl)-vinyl]-1,2,3-t...)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1Br
Show InChI InChI=1S/C18H19BrO4/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/h5-11H,1-4H3/b6-5-
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n/an/a 1.10E+3n/an/an/an/an/an/a



Arizona State University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization upon incubation for 20 min at 30 degree C


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50159297
PNG
((E)-3-(3''-Fluoro-4''-methoxyphenyl)-1-(3',4',5'-t...)
Show SMILES COc1ccc(\C=C\C(=O)c2cc(OC)c(OC)c(OC)c2)cc1F
Show InChI InChI=1S/C19H19FO5/c1-22-16-8-6-12(9-14(16)20)5-7-15(21)13-10-17(23-2)19(25-4)18(11-13)24-3/h5-11H,1-4H3/b7-5+
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50005480
PNG
((-)-combretastatin | (Z)-3'-hydroxy-3,4,4',5-tetra...)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O
Show InChI InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-
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n/an/a 1.20E+3n/an/an/an/an/an/a



Arizona State University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization upon incubation for 20 min at 30 degree C


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50159306
PNG
(1,2,3-Triethoxy-5-[(Z)-2-(3-fluoro-4-methoxy-pheny...)
Show SMILES CCOc1cc(\C=C/c2ccc(OC)c(F)c2)cc(OCC)c1OCC
Show InChI InChI=1S/C21H25FO4/c1-5-24-19-13-16(14-20(25-6-2)21(19)26-7-3)9-8-15-10-11-18(23-4)17(22)12-15/h8-14H,5-7H2,1-4H3/b9-8-
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50159298
PNG
(5-[(Z)-2-(3-Fluoro-4-methoxy-phenyl)-vinyl]-2,3-di...)
Show SMILES COc1ccc(\C=C/c2cc(O)c(OC)c(OC)c2)cc1F
Show InChI InChI=1S/C17H17FO4/c1-20-15-7-6-11(8-13(15)18)4-5-12-9-14(19)17(22-3)16(10-12)21-2/h4-10,19H,1-3H3/b5-4-
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n/an/a 1.25E+3n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50159309
PNG
(1,2,3-Trimethoxy-5-[(Z)-2-(4-methoxy-phenyl)-1-met...)
Show SMILES COc1ccc(\C=C(\C)c2cc(OC)c(OC)c(OC)c2)cc1
Show InChI InChI=1S/C19H22O4/c1-13(10-14-6-8-16(20-2)9-7-14)15-11-17(21-3)19(23-5)18(12-15)22-4/h6-12H,1-5H3/b13-10-
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50064482
PNG
(2-demethylthiocolchicine | CHEMBL277239 | N-((S)-2...)
Show SMILES COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(SC)ccc3-c2c(OC)c1O
Show InChI InChI=1S/C21H23NO5S/c1-11(23)22-15-7-5-12-9-17(26-2)20(25)21(27-3)19(12)13-6-8-18(28-4)16(24)10-14(13)15/h6,8-10,15,25H,5,7H2,1-4H3,(H,22,23)/t15-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibitory concentration against tubulin assembly


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50159312
PNG
((Z)-3-(3'',5''-Difluoro-4''-methoxyphenyl)-2-metho...)
Show SMILES CO\C(=C/c1cc(F)c(OC)c(F)c1)C(=O)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C20H20F2O6/c1-24-15(8-11-6-13(21)19(27-4)14(22)7-11)18(23)12-9-16(25-2)20(28-5)17(10-12)26-3/h6-10H,1-5H3/b15-8-
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50159296
PNG
(5-[(Z)-2-(3,4-Dimethyl-phenyl)-vinyl]-1,2,3-trimet...)
Show SMILES COc1cc(\C=C/c2ccc(C)c(C)c2)cc(OC)c1OC
Show InChI InChI=1S/C19H22O3/c1-13-6-7-15(10-14(13)2)8-9-16-11-17(20-3)19(22-5)18(12-16)21-4/h6-12H,1-5H3/b9-8-
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50159318
PNG
((E)-3-(3''-Amino-4''-methoxyphenyl)-1-(3',4',5'-tr...)
Show SMILES COc1ccc(\C=C\C(=O)c2cc(OC)c(OC)c(OC)c2)cc1N
Show InChI InChI=1S/C19H21NO5/c1-22-16-8-6-12(9-14(16)20)5-7-15(21)13-10-17(23-2)19(25-4)18(11-13)24-3/h5-11H,20H2,1-4H3/b7-5+
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50005480
PNG
((-)-combretastatin | (Z)-3'-hydroxy-3,4,4',5-tetra...)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O
Show InChI InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-
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n/an/a 2.03E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50151101
PNG
((6-Methoxy-1H-indol-3-yl)-(3,4,5-trimethoxy-phenyl...)
Show SMILES COc1ccc2c(c[nH]c2c1)C(=O)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C19H19NO5/c1-22-12-5-6-13-14(10-20-15(13)9-12)18(21)11-7-16(23-2)19(25-4)17(8-11)24-3/h5-10,20H,1-4H3
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n/an/a 2.18E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50159317
PNG
((E)-3-(3'',5''-Difluoro-4''-methoxyphenyl)-2-methy...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)C(\C)=C\c1cc(F)c(OC)c(F)c1
Show InChI InChI=1S/C20H20F2O5/c1-11(6-12-7-14(21)19(26-4)15(22)8-12)18(23)13-9-16(24-2)20(27-5)17(10-13)25-3/h6-10H,1-5H3/b11-6+
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50159316
PNG
(2-Methoxy-5-((Z)-styryl)-phenol | CHEMBL364969)
Show SMILES COc1ccc(\C=C/c2ccccc2)cc1O
Show InChI InChI=1S/C15H14O2/c1-17-15-10-9-13(11-14(15)16)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7-
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50168443
PNG
((Z)-1-(3',4',5'-trimethoxyphenyl)-2-(3''-nitro-4''...)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1[N+]([O-])=O
Show InChI InChI=1S/C18H19NO6/c1-22-15-8-7-12(9-14(15)19(20)21)5-6-13-10-16(23-2)18(25-4)17(11-13)24-3/h5-11H,1-4H3/b6-5-
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n/an/a 2.60E+3n/an/an/an/an/an/a



Arizona State University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization upon incubation for 20 min at 30 degree C


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50151100
PNG
((3,5-Dimethoxy-phenyl)-(6-methoxy-1H-indol-3-yl)-m...)
Show SMILES COc1ccc2c(c[nH]c2c1)C(=O)c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C18H17NO4/c1-21-12-4-5-15-16(10-19-17(15)9-12)18(20)11-6-13(22-2)8-14(7-11)23-3/h4-10,19H,1-3H3
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n/an/a 2.69E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50168446
PNG
(2-{2-Methoxy-5-[(Z)-2-(3,4,5-trimethoxy-phenyl)-vi...)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1OCCO
Show InChI InChI=1S/C20H24O6/c1-22-16-8-7-14(11-17(16)26-10-9-21)5-6-15-12-18(23-2)20(25-4)19(13-15)24-3/h5-8,11-13,21H,9-10H2,1-4H3/b6-5-
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n/an/a 2.80E+3n/an/an/an/an/an/a



Arizona State University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization upon incubation for 20 min at 30 degree C


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50157477
PNG
(CHEMBL142588 | N-((S)-10-Hydroxy-1,2,3-trimethoxy-...)
Show SMILES COc1cc2CC[C@H](NC(C)=O)c3cc(O)c(=O)ccc3-c2c(OC)c1OC
Show InChI InChI=1S/C21H23NO6/c1-11(23)22-15-7-5-12-9-18(26-2)20(27-3)21(28-4)19(12)13-6-8-16(24)17(25)10-14(13)15/h6,8-10,15H,5,7H2,1-4H3,(H,22,23)(H,24,25)/t15-/m0/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibitory concentration against tubulin assembly


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50159310
PNG
(5-[(Z)-2-(3,4-Dimethyl-phenyl)-vinyl]-2-methoxy-ph...)
Show SMILES COc1ccc(\C=C/c2ccc(C)c(C)c2)cc1O
Show InChI InChI=1S/C17H18O2/c1-12-4-5-14(10-13(12)2)6-7-15-8-9-17(19-3)16(18)11-15/h4-11,18H,1-3H3/b7-6-
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n/an/a 3.10E+3n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50151098
PNG
((5-Methoxy-2-methyl-indol-1-yl)-(3,4,5-trimethoxy-...)
Show SMILES COc1ccc2n(C(=O)c3cc(OC)c(OC)c(OC)c3)c(C)cc2c1
Show InChI InChI=1S/C20H21NO5/c1-12-8-13-9-15(23-2)6-7-16(13)21(12)20(22)14-10-17(24-3)19(26-5)18(11-14)25-4/h6-11H,1-5H3
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n/an/a 3.31E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50006675
PNG
(5-[(Z)-2-(4-Ethyl-phenyl)-vinyl]-1,2,3-trimethoxy-...)
Show SMILES CCc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1
Show InChI InChI=1S/C19H22O3/c1-5-14-6-8-15(9-7-14)10-11-16-12-17(20-2)19(22-4)18(13-16)21-3/h6-13H,5H2,1-4H3/b11-10-
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n/an/a 3.40E+3n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50151115
PNG
((5-Methoxy-indol-1-yl)-(3,4,5-trimethoxy-phenyl)-m...)
Show SMILES COc1ccc2n(ccc2c1)C(=O)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C19H19NO5/c1-22-14-5-6-15-12(9-14)7-8-20(15)19(21)13-10-16(23-2)18(25-4)17(11-13)24-3/h5-11H,1-4H3
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n/an/a 3.76E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50157478
PNG
(CHEMBL180388 | CHEMBL180503 | Dimethylamino-acetic...)
Show SMILES COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(SC)ccc3-c2c(OC)c1OC(=O)CN(C)C
Show InChI InChI=1S/C25H30N2O6S/c1-14(28)26-18-9-7-15-11-20(31-4)24(33-22(30)13-27(2)3)25(32-5)23(15)16-8-10-21(34-6)19(29)12-17(16)18/h8,10-12,18H,7,9,13H2,1-6H3,(H,26,28)/t18-/m0/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibitory concentration against tubulin assembly


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50159302
PNG
(3-(3''-Hydroxy-4''-methoxyphenyl)-2-methyl-1-(3',4...)
Show SMILES COc1ccc(CC(C)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1O
Show InChI InChI=1S/C20H24O6/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/h6-7,9-12,21H,8H2,1-5H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50159304
PNG
((Z)-2-methoxy-5-(3,4,5-trifluorostyryl)phenol | 2-...)
Show SMILES COc1ccc(\C=C/c2cc(F)c(F)c(F)c2)cc1O
Show InChI InChI=1S/C15H11F3O2/c1-20-14-5-4-9(8-13(14)19)2-3-10-6-11(16)15(18)12(17)7-10/h2-8,19H,1H3/b3-2-
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n/an/a 4.50E+3n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50157479
PNG
(2-Desmethylcolchicin | 2-demethylcolchicine | 2-di...)
Show SMILES COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1O
Show InChI InChI=1S/C21H23NO6/c1-11(23)22-15-7-5-12-9-18(27-3)20(25)21(28-4)19(12)13-6-8-17(26-2)16(24)10-14(13)15/h6,8-10,15,25H,5,7H2,1-4H3,(H,22,23)/t15-/m0/s1
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n/an/a 4.80E+3n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibitory concentration against tubulin assembly


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50159299
PNG
(1,2,3-Trifluoro-5-[(Z)-2-(3-fluoro-4-methoxy-pheny...)
Show SMILES COc1ccc(\C=C/c2cc(F)c(F)c(F)c2)cc1F
Show InChI InChI=1S/C15H10F4O/c1-20-14-5-4-9(6-11(14)16)2-3-10-7-12(17)15(19)13(18)8-10/h2-8H,1H3/b3-2-
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n/an/a 5.50E+3n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50168457
PNG
(3-{2-Methoxy-5-[(Z)-2-(3,4,5-trimethoxy-phenyl)-vi...)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1OCCCO
Show InChI InChI=1S/C21H26O6/c1-23-17-9-8-15(12-18(17)27-11-5-10-22)6-7-16-13-19(24-2)21(26-4)20(14-16)25-3/h6-9,12-14,22H,5,10-11H2,1-4H3/b7-6-
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n/an/a 6.50E+3n/an/an/an/an/an/a



Arizona State University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization upon incubation for 20 min at 30 degree C


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50159319
PNG
(4-[(Z)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1,2-di...)
Show SMILES COc1ccc(\C=C/c2ccc(C)c(C)c2)cc1F
Show InChI InChI=1S/C17H17FO/c1-12-4-5-14(10-13(12)2)6-7-15-8-9-17(19-3)16(18)11-15/h4-11H,1-3H3/b7-6-
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n/an/a 6.60E+3n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50095317
PNG
(2-Methoxy-5-(3,4,5-trimethoxy-phenoxymethyl)-pheno...)
Show SMILES COc1ccc(COc2cc(OC)c(OC)c(OC)c2)cc1O
Show InChI InChI=1S/C17H20O6/c1-19-14-6-5-11(7-13(14)18)10-23-12-8-15(20-2)17(22-4)16(9-12)21-3/h5-9,18H,10H2,1-4H3
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n/an/a 7.20E+3n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50168447
PNG
(1-(2-{2-Methoxy-5-[(Z)-2-(3,4,5-trimethoxy-phenyl)...)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1OCCn1ccnc1
Show InChI InChI=1S/C23H26N2O5/c1-26-19-8-7-17(13-20(19)30-12-11-25-10-9-24-16-25)5-6-18-14-21(27-2)23(29-4)22(15-18)28-3/h5-10,13-16H,11-12H2,1-4H3/b6-5-
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n/an/a 7.60E+3n/an/an/an/an/an/a



Arizona State University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization upon incubation for 20 min at 30 degree C


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50159291
PNG
((E)-3-(3''-Fluoro-4''-methoxyphenyl)-1-(2',3',4'-t...)
Show SMILES COc1ccc(\C=C\C(=O)c2ccc(OC)c(OC)c2OC)cc1F
Show InChI InChI=1S/C19H19FO5/c1-22-16-9-6-12(11-14(16)20)5-8-15(21)13-7-10-17(23-2)19(25-4)18(13)24-3/h5-11H,1-4H3/b8-5+
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n/an/a 7.90E+3n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50157478
PNG
(CHEMBL180388 | CHEMBL180503 | Dimethylamino-acetic...)
Show SMILES COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(SC)ccc3-c2c(OC)c1OC(=O)CN(C)C
Show InChI InChI=1S/C25H30N2O6S/c1-14(28)26-18-9-7-15-11-20(31-4)24(33-22(30)13-27(2)3)25(32-5)23(15)16-8-10-21(34-6)19(29)12-17(16)18/h8,10-12,18H,7,9,13H2,1-6H3,(H,26,28)/t18-/m0/s1
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n/an/a 8.70E+3n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibitory concentration against tubulin assembly


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens)
BDBM50159315
PNG
(2-Methoxy-5-[(E)-1-methyl-2-(3,4,5-trimethoxy-phen...)
Show SMILES COc1ccc(cc1O)C(\C)=C\c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C19H22O5/c1-12(14-6-7-16(21-2)15(20)11-14)8-13-9-17(22-3)19(24-5)18(10-13)23-4/h6-11,20H,1-5H3/b12-8+
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n/an/a 9.00E+3n/an/an/an/an/an/a



University of Salford

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of tubulin polymerization


Citation and Details
More data for this
Ligand-Target Pair
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